4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine

C12H26N2 — CID 62430254

IUPAC4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(C(C)CCCN)C1CC1
InChIInChI=1S/C12H26N2/c1-10(2)9-14(12-6-7-12)11(3)5-4-8-13/h10-12H,4-9,13H2,1-3H3
InChIKeyXOONDKQSGYMJPD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds7

About 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine

4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine (PubChem CID 62430254) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
PubChem CID62430254
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCC(C)CN(C(C)CCCN)C1CC1
InChIInChI=1S/C12H26N2/c1-10(2)9-14(12-6-7-12)11(3)5-4-8-13/h10-12H,4-9,13H2,1-3H3
InChIKeyXOONDKQSGYMJPD-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
2-N-cyclopropyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465210
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
CID 80557958
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N'-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 10419294
N-cyclopropyl-N-(3-methylbutyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132682

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine (CID 62430254) is 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine is CC(C)CN(C(C)CCCN)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
The InChIKey is XOONDKQSGYMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)9-14(12-6-7-12)11(3)5-4-8-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine?
4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 62430254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).