1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine

C16H34N2 — CID 83054390

IUPAC1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CCC)CNC1CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-12-18(14(3)4)16(9-6-2)13-17-15-10-11-15/h14-17H,5-13H2,1-4H3
InChIKeyKWNOZJSSFCDXDA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds11

About 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine

1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83054390) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
PubChem CID83054390
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CCC)CNC1CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-12-18(14(3)4)16(9-6-2)13-17-15-10-11-15/h14-17H,5-13H2,1-4H3
InChIKeyKWNOZJSSFCDXDA-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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

1-N-cyclopropyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62421806
1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054297
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-N-cyclopropyl-2-N-methyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 83054076
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975
2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62424980
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-(2-ethylhexyl)cyclopropanamine
CID 43163806

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine (CID 83054390) is 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine is CCCCCN(C(C)C)C(CCC)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is KWNOZJSSFCDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-8-12-18(14(3)4)16(9-6-2)13-17-15-10-11-15/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83054390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).