N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine

C25H30N2 — CID 2852735

IUPACN-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine
SMILESCCn1c2ccccc2c2cc(CNC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C25H30N2/c1-2-27-23-6-4-3-5-21(23)22-12-17(7-8-24(22)27)16-26-25-13-18-9-19(14-25)11-20(10-18)15-25/h3-8,12,18-20,26H,2,9-11,13-16H2,1H3
InChIKeyIUJKKRUVOOZXBL-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.87
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine

N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine (PubChem CID 2852735) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine
PubChem CID2852735
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine
SMILESCCn1c2ccccc2c2cc(CNC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C25H30N2/c1-2-27-23-6-4-3-5-21(23)22-12-17(7-8-24(22)27)16-26-25-13-18-9-19(14-25)11-20(10-18)15-25/h3-8,12,18-20,26H,2,9-11,13-16H2,1H3
InChIKeyIUJKKRUVOOZXBL-UHFFFAOYSA-N
XLogP5.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.87
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]adamantan-1-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine (CID 2852735) is N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine is CCn1c2ccccc2c2cc(CNC34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is IUJKKRUVOOZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-2-27-23-6-4-3-5-21(23)22-12-17(7-8-24(22)27)16-26-25-13-18-9-19(14-25)11-20(10-18)15-25/h3-8,12,18-20,26H,2,9-11,13-16H2,1H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine?
N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 358.53 g/mol, XLogP of 5.87, 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]adamantan-1-amine is sourced from PubChem (CID 2852735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).