N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine

C17H36N2 — CID 78967616

IUPACN'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
SMILESCC(C)CCN(CCCCCCNC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-15(2)11-14-19(17-9-10-17)13-8-6-5-7-12-18-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyWMVCUICWRABPPX-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds12

About N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine

N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine (PubChem CID 78967616) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
PubChem CID78967616
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
SMILESCC(C)CCN(CCCCCCNC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-15(2)11-14-19(17-9-10-17)13-8-6-5-7-12-18-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyWMVCUICWRABPPX-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine (CID 78967616) is N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine is CC(C)CCN(CCCCCCNC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The InChIKey is WMVCUICWRABPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-15(2)11-14-19(17-9-10-17)13-8-6-5-7-12-18-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 78967616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).