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

C10H22N2 — CID 60985776

IUPAC1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(N)CN(C)CC1CC1
InChIInChI=1S/C10H22N2/c1-8(2)10(11)7-12(3)6-9-4-5-9/h8-10H,4-7,11H2,1-3H3
InChIKeyUDKTWIPKDXKYPL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.31
Rot. Bonds5

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

1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine (PubChem CID 60985776) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
PubChem CID60985776
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(N)CN(C)CC1CC1
InChIInChI=1S/C10H22N2/c1-8(2)10(11)7-12(3)6-9-4-5-9/h8-10H,4-7,11H2,1-3H3
InChIKeyUDKTWIPKDXKYPL-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
CID 60985406
(2R)-1-N-[(2R)-2-amino-3-methylbutyl]-1-N,3-dimethylbutane-1,2-diamine
CID 102246344
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
CID 63387305
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine (CID 60985776) is 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine is CC(C)C(N)CN(C)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine?
The InChIKey is UDKTWIPKDXKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)10(11)7-12(3)6-9-4-5-9/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.31, 5 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-dimethylbutane-1,2-diamine is sourced from PubChem (CID 60985776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).