N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline

C16H26N2 — CID 65379712

IUPACN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
SMILESCC(C)C1CCC(CN)(Nc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)14-8-10-16(12-17,11-9-14)18-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3
InChIKeyPWUUGHIDRHOZJP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline

N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline (PubChem CID 65379712) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
PubChem CID65379712
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
SMILESCC(C)C1CCC(CN)(Nc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)14-8-10-16(12-17,11-9-14)18-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3
InChIKeyPWUUGHIDRHOZJP-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline?
The IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline (CID 65379712) is N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline?
The canonical SMILES for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline is CC(C)C1CCC(CN)(Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline?
The InChIKey is PWUUGHIDRHOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)14-8-10-16(12-17,11-9-14)18-15-6-4-3-5-7-15/h3-7,13-14,18H,8-12,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline?
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline is sourced from PubChem (CID 65379712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).