N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine

C14H30N2 — CID 79527070

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCC(CN)CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-4-9-16(12(2)3)11-14-7-5-13(10-15)6-8-14/h12-14H,4-11,15H2,1-3H3
InChIKeySLQPASOKZJACTH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 79527070) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
PubChem CID79527070
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CCC(CN)CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-4-9-16(12(2)3)11-14-7-5-13(10-15)6-8-14/h12-14H,4-11,15H2,1-3H3
InChIKeySLQPASOKZJACTH-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine (CID 79527070) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine is CCCN(CC1CCC(CN)CC1)C(C)C.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is SLQPASOKZJACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-16(12(2)3)11-14-7-5-13(10-15)6-8-14/h12-14H,4-11,15H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79527070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).