3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile

C10H19N3 — CID 116652822

IUPAC3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C(CN)C1CC1
InChIInChI=1S/C10H19N3/c1-8(5-11)7-13(2)10(6-12)9-3-4-9/h8-10H,3-4,6-7,12H2,1-2H3
InChIKeyYQXUFHVEXYFJBB-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.82
Rot. Bonds5

About 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile

3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile (PubChem CID 116652822) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile
PubChem CID116652822
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C(CN)C1CC1
InChIInChI=1S/C10H19N3/c1-8(5-11)7-13(2)10(6-12)9-3-4-9/h8-10H,3-4,6-7,12H2,1-2H3
InChIKeyYQXUFHVEXYFJBB-UHFFFAOYSA-N
XLogP0.82
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyanomethyl)acetamide
CID 116652513
1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
CID 116652552
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile (CID 116652822) is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)C(CN)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile?
The InChIKey is YQXUFHVEXYFJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(5-11)7-13(2)10(6-12)9-3-4-9/h8-10H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile?
3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 116652822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).