2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile

C15H29N3 — CID 62206650

IUPAC2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-5-6-14-7-9-18(10-8-14)12-15(4,11-16)17-13(2)3/h13-14,17H,5-10,12H2,1-4H3
InChIKeyBXONMKDBSGCNCC-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile

2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile (PubChem CID 62206650) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
PubChem CID62206650
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-5-6-14-7-9-18(10-8-14)12-15(4,11-16)17-13(2)3/h13-14,17H,5-10,12H2,1-4H3
InChIKeyBXONMKDBSGCNCC-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 106588528
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propanenitrile
CID 81198661
3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
CID 66453199
2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 103501799
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 102727949
2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62204880
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64699341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile (CID 62206650) is 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile is CCCC1CCN(CC(C)(C#N)NC(C)C)CC1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The InChIKey is BXONMKDBSGCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-6-14-7-9-18(10-8-14)12-15(4,11-16)17-13(2)3/h13-14,17H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 62206650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).