4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile

C15H30N4 — CID 63236525

IUPAC4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(C)CC1CCN(C)CC1
InChIInChI=1S/C15H30N4/c1-4-8-17-15(12-16)7-11-19(3)13-14-5-9-18(2)10-6-14/h14-15,17H,4-11,13H2,1-3H3
InChIKeyCSJVRVMHADQSPC-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.54
Rot. Bonds8

About 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile (PubChem CID 63236525) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
PubChem CID63236525
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(C)CC1CCN(C)CC1
InChIInChI=1S/C15H30N4/c1-4-8-17-15(12-16)7-11-19(3)13-14-5-9-18(2)10-6-14/h14-15,17H,4-11,13H2,1-3H3
InChIKeyCSJVRVMHADQSPC-UHFFFAOYSA-N
XLogP1.54
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 55174034
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
CID 63273995
4-[cycloheptyl(methyl)amino]-2-(propylamino)butanenitrile
CID 63027524
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile?
The IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile (CID 63236525) is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile is CCCNC(C#N)CCN(C)CC1CCN(C)CC1.
What is the InChIKey of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile?
The InChIKey is CSJVRVMHADQSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-8-17-15(12-16)7-11-19(3)13-14-5-9-18(2)10-6-14/h14-15,17H,4-11,13H2,1-3H3.
What are the key properties of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile?
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile is sourced from PubChem (CID 63236525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).