1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine

C11H24N2 — CID 60985406

IUPAC1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)CC1CC1
InChIInChI=1S/C11H24N2/c1-4-9(2)11(12)8-13(3)7-10-5-6-10/h9-11H,4-8,12H2,1-3H3
InChIKeyFBWFMVUOBFKLIF-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine (PubChem CID 60985406) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
PubChem CID60985406
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)CC1CC1
InChIInChI=1S/C11H24N2/c1-4-9(2)11(12)8-13(3)7-10-5-6-10/h9-11H,4-8,12H2,1-3H3
InChIKeyFBWFMVUOBFKLIF-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
CID 63387305
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine (CID 60985406) is 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine is CCC(C)C(N)CN(C)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine?
The InChIKey is FBWFMVUOBFKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-9(2)11(12)8-13(3)7-10-5-6-10/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine is sourced from PubChem (CID 60985406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).