N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C14H30N2 — CID 115581253

IUPACN-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)16(3)11-7-10-15-12-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyCNAAAQSXGBUZGY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 115581253) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID115581253
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)16(3)11-7-10-15-12-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3
InChIKeyCNAAAQSXGBUZGY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
1-cyclopentyl-3-[4-[methyl(propan-2-yl)amino]butylamino]propan-2-ol
CID 103157622
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 115581253) is N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CNAAAQSXGBUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)16(3)11-7-10-15-12-14-8-5-4-6-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115581253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).