2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine

C23H41N — CID 59100363

IUPAC2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CC2C3CCCCC3CC3CCCCC3C2C1
InChIInChI=1S/C23H41N/c1-23(2,3)24-15-16-12-21-19-10-6-4-8-17(19)14-18-9-5-7-11-20(18)22(21)13-16/h16-22,24H,4-15H2,1-3H3
InChIKeyQPJGHVBDRIFCQI-UHFFFAOYSA-N
MW331.59 g/mol
LogP6.03
Rot. Bonds2

About 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine

2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine (PubChem CID 59100363) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine
PubChem CID59100363
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CC2C3CCCCC3CC3CCCCC3C2C1
InChIInChI=1S/C23H41N/c1-23(2,3)24-15-16-12-21-19-10-6-4-8-17(19)14-18-9-5-7-11-20(18)22(21)13-16/h16-22,24H,4-15H2,1-3H3
InChIKeyQPJGHVBDRIFCQI-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclopentylcycloheptyl)methyl]-2-methylpropan-2-amine
CID 81025228
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
CID 81026999
N-[(3-methoxycyclobutyl)methyl]-2-methylpropan-2-amine
CID 106824564
N-[dimethyl(4-tetracyclo[12.4.0.02,6.07,12]octadecanyl)silyl]-2-methylpropan-2-amine
CID 59091540
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2-methylpropan-2-amine
CID 66470012
N-[(2-cyclopentyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62714405
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91006589
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81028892
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine (CID 59100363) is 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine is CC(C)(C)NCC1CC2C3CCCCC3CC3CCCCC3C2C1.
What is the InChIKey of 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine?
The InChIKey is QPJGHVBDRIFCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-23(2,3)24-15-16-12-21-19-10-6-4-8-17(19)14-18-9-5-7-11-20(18)22(21)13-16/h16-22,24H,4-15H2,1-3H3.
What are the key properties of 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine?
2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine has a molecular weight of 331.59 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-tetracyclo[12.4.0.02,6.07,12]octadecanylmethyl)propan-2-amine is sourced from PubChem (CID 59100363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).