1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine

C9H20N2 — CID 123270508

IUPAC1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCNC(C)CNCC1CC1
InChIInChI=1S/C9H20N2/c1-3-11-8(2)6-10-7-9-4-5-9/h8-11H,3-7H2,1-2H3
InChIKeyNNWAJHYJXSUHRY-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.98
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine (PubChem CID 123270508) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
PubChem CID123270508
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCNC(C)CNCC1CC1
InChIInChI=1S/C9H20N2/c1-3-11-8(2)6-10-7-9-4-5-9/h8-11H,3-7H2,1-2H3
InChIKeyNNWAJHYJXSUHRY-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
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1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014
1-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664757
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
4-(2-cyclopropylethoxy)-N-ethylbutan-2-amine
CID 106200792
N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115764167
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine (CID 123270508) is 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine is CCNC(C)CNCC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine?
The InChIKey is NNWAJHYJXSUHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-11-8(2)6-10-7-9-4-5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 123270508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).