N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine

C35H43N3 — CID 130349344

IUPACN-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCNC(C1C=CC2=C(C=CCC2)C1)C1CCC2=C(CCC=C2)C1NCN1c2ccccc2C2C=CCCC21
InChIInChI=1S/C35H43N3/c1-36-34(27-19-18-24-10-2-3-12-26(24)22-27)31-21-20-25-11-4-5-13-28(25)35(31)37-23-38-32-16-8-6-14-29(32)30-15-7-9-17-33(30)38/h3-4,6-8,11-12,14-16,18-19,27,30-31,33-37H,2,5,9-10,13,17,20-23H2,1H3
InChIKeyWZVPRVPEFDOFFL-UHFFFAOYSA-N
MW505.75 g/mol
LogP7.09
Rot. Bonds6

About N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine

N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine (PubChem CID 130349344) has the molecular formula C35H43N3 and a molecular weight of 505.75 g/mol. Its IUPAC name is N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine
PubChem CID130349344
Molecular FormulaC35H43N3
Molecular Weight505.75 g/mol
Exact Mass505.35
IUPAC NameN-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCNC(C1C=CC2=C(C=CCC2)C1)C1CCC2=C(CCC=C2)C1NCN1c2ccccc2C2C=CCCC21
InChIInChI=1S/C35H43N3/c1-36-34(27-19-18-24-10-2-3-12-26(24)22-27)31-21-20-25-11-4-5-13-28(25)35(31)37-23-38-32-16-8-6-14-29(32)30-15-7-9-17-33(30)38/h3-4,6-8,11-12,14-16,18-19,27,30-31,33-37H,2,5,9-10,13,17,20-23H2,1H3
InChIKeyWZVPRVPEFDOFFL-UHFFFAOYSA-N
XLogP7.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The IUPAC name of N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine (CID 130349344) is N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine.
What is the SMILES notation for N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The canonical SMILES for N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine is CNC(C1C=CC2=C(C=CCC2)C1)C1CCC2=C(CCC=C2)C1NCN1c2ccccc2C2C=CCCC21.
What is the InChIKey of N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The InChIKey is WZVPRVPEFDOFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3/c1-36-34(27-19-18-24-10-2-3-12-26(24)22-27)31-21-20-25-11-4-5-13-28(25)35(31)37-23-38-32-16-8-6-14-29(32)30-15-7-9-17-33(30)38/h3-4,6-8,11-12,14-16,18-19,27,30-31,33-37H,2,5,9-10,13,17,20-23H2,1H3.
What are the key properties of N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine has a molecular weight of 505.75 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4a,9a-tetrahydrocarbazol-9-ylmethyl)-2-[methylamino(1,2,5,6-tetrahydronaphthalen-2-yl)methyl]-1,2,3,4,7,8-hexahydronaphthalen-1-amine is sourced from PubChem (CID 130349344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).