4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

C13H25N3 — CID 64726683

IUPAC4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CC1
InChIInChI=1S/C13H25N3/c1-5-15-13(3,10-14)8-11(2)16(4)9-12-6-7-12/h11-12,15H,5-9H2,1-4H3
InChIKeyXWYMJXQOJRSUDI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds7

About 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile

4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64726683) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64726683
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CC1CC1
InChIInChI=1S/C13H25N3/c1-5-15-13(3,10-14)8-11(2)16(4)9-12-6-7-12/h11-12,15H,5-9H2,1-4H3
InChIKeyXWYMJXQOJRSUDI-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile (CID 64726683) is 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(C)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is XWYMJXQOJRSUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-15-13(3,10-14)8-11(2)16(4)9-12-6-7-12/h11-12,15H,5-9H2,1-4H3.
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64726683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).