N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline

C16H26N2 — CID 106663199

IUPACN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline
SMILESCc1ccc(NC2(CN)CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-14(8-6-12)18-16(11-17)10-15(3,4)9-13(16)2/h5-8,13,18H,9-11,17H2,1-4H3
InChIKeyHPTBXKODORWSKI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline

N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline (PubChem CID 106663199) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline
PubChem CID106663199
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline
SMILESCc1ccc(NC2(CN)CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-14(8-6-12)18-16(11-17)10-15(3,4)9-13(16)2/h5-8,13,18H,9-11,17H2,1-4H3
InChIKeyHPTBXKODORWSKI-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hexadecylamino)Benzylamine
CID 4122428
N,N'-Ethylenedi-p-toluidine
CID 78416
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CID 781722
(3aS,6aR)-N-(4-tert-butylphenyl)-5-hexyl-4-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine
CID 24825439
1,2-Ethanediamine, N'-(4-cyclopentylphenyl)-N,N-diethyl-, dihydrochloride
CID 3069985
4-methyl-N-(2-methylpropyl)aniline
CID 14372419
4-(aminomethyl)-N-propylaniline
CID 57087702
4-methyl-N-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]aniline
CID 46193735
4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline
CID 3134445
N1-Cycloheptyl-N2-[4-(propan-2-YL)phenyl]ethane-1,2-diamine
CID 6623698
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 16258994
trans-(1R,3S)-1,2,2-trimethyl-3-N-phenylcyclopentane-1,3-diamine
CID 139240583

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline (CID 106663199) is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline is Cc1ccc(NC2(CN)CC(C)(C)CC2C)cc1.
What is the InChIKey of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline?
The InChIKey is HPTBXKODORWSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-7-14(8-6-12)18-16(11-17)10-15(3,4)9-13(16)2/h5-8,13,18H,9-11,17H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline?
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline is sourced from PubChem (CID 106663199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).