N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine

C16H35N3 — CID 107441949

IUPACN'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C16H35N3/c1-14(2)15(12-17)13-18-10-7-11-19(3)16-8-5-4-6-9-16/h14-16,18H,4-13,17H2,1-3H3
InChIKeyQWDJYKFVIAQTAV-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.46
Rot. Bonds9

About N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine

N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441949) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441949
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C16H35N3/c1-14(2)15(12-17)13-18-10-7-11-19(3)16-8-5-4-6-9-16/h14-16,18H,4-13,17H2,1-3H3
InChIKeyQWDJYKFVIAQTAV-UHFFFAOYSA-N
XLogP2.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
4-[3-[cyclohexyl(methyl)amino]propylamino]-3-hydroxybutanoic acid
CID 103240520
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987

Frequently Asked Questions

What is the IUPAC name of N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441949) is N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCCCN(C)C1CCCCC1.
What is the InChIKey of N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is QWDJYKFVIAQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)15(12-17)13-18-10-7-11-19(3)16-8-5-4-6-9-16/h14-16,18H,4-13,17H2,1-3H3.
What are the key properties of N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).