N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C25H26N2 — CID 2850857

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCn1c2ccccc2c2cc(CNC3CCCc4ccccc43)ccc21
InChIInChI=1S/C25H26N2/c1-2-27-24-13-6-5-11-21(24)22-16-18(14-15-25(22)27)17-26-23-12-7-9-19-8-3-4-10-20(19)23/h3-6,8,10-11,13-16,23,26H,2,7,9,12,17H2,1H3
InChIKeyPUQGENRBXGZWDZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.98
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 2850857) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID2850857
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCn1c2ccccc2c2cc(CNC3CCCc4ccccc43)ccc21
InChIInChI=1S/C25H26N2/c1-2-27-24-13-6-5-11-21(24)22-16-18(14-15-25(22)27)17-26-23-12-7-9-19-8-3-4-10-20(19)23/h3-6,8,10-11,13-16,23,26H,2,7,9,12,17H2,1H3
InChIKeyPUQGENRBXGZWDZ-UHFFFAOYSA-N
XLogP5.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 2850857) is N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCn1c2ccccc2c2cc(CNC3CCCc4ccccc43)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PUQGENRBXGZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-2-27-24-13-6-5-11-21(24)22-16-18(14-15-25(22)27)17-26-23-12-7-9-19-8-3-4-10-20(19)23/h3-6,8,10-11,13-16,23,26H,2,7,9,12,17H2,1H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 354.50 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 2850857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).