2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine

C13H28N2 — CID 61441066

IUPAC2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)CC(C)C
InChIInChI=1S/C13H28N2/c1-4-5-8-15(12-6-7-12)13(10-14)9-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeySYEDGBMNXZUNMW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds8

About 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine

2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine (PubChem CID 61441066) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
PubChem CID61441066
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)CC(C)C
InChIInChI=1S/C13H28N2/c1-4-5-8-15(12-6-7-12)13(10-14)9-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeySYEDGBMNXZUNMW-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
2-N-cyclopropyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465210
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60810845
1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
N-butyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
CID 153306520
N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
CID 63208501
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine (CID 61441066) is 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine is CCCCN(C1CC1)C(CN)CC(C)C.
What is the InChIKey of 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine?
The InChIKey is SYEDGBMNXZUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-8-15(12-6-7-12)13(10-14)9-11(2)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine?
2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine is sourced from PubChem (CID 61441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).