N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C12H26N2 — CID 59867972

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(CN)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11,14H,4-9,13H2,1-3H3
InChIKeyBNCASAVSARAFMC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds3

About N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 59867972) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID59867972
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(CN)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11,14H,4-9,13H2,1-3H3
InChIKeyBNCASAVSARAFMC-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 59867972) is N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BNCASAVSARAFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59867972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).