1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine

C13H28N2 — CID 78974349

IUPAC1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-12(14)10-15(13-6-7-13)9-8-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyOIZYIUWLKAQMSI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds8

About 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine

1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine (PubChem CID 78974349) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
PubChem CID78974349
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-5-12(14)10-15(13-6-7-13)9-8-11(2)3/h11-13H,4-10,14H2,1-3H3
InChIKeyOIZYIUWLKAQMSI-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

1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine (CID 78974349) is 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine is CCCC(N)CN(CCC(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine?
The InChIKey is OIZYIUWLKAQMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-12(14)10-15(13-6-7-13)9-8-11(2)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine?
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-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 1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 78974349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).