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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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).