(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine

C8H18N2 — CID 93424361

IUPAC(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)CC1CC1
InChIInChI=1S/C8H18N2/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyQSVBCXZNVNVGJJ-ZETCQYMHSA-N
MW142.25 g/mol
LogP0.68
Rot. Bonds4

About (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine

(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 93424361) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
PubChem CID93424361
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)CC1CC1
InChIInChI=1S/C8H18N2/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyQSVBCXZNVNVGJJ-ZETCQYMHSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.68
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-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
CID 60985406
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
CID 63387305
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54884594
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine (CID 93424361) is (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine is C[C@H](N)CN(C)CC1CC1.
What is the InChIKey of (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is QSVBCXZNVNVGJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine?
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 93424361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).