3-[(1-methylpiperidin-4-yl)amino]pentanenitrile

C11H21N3 — CID 43373491

IUPAC3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-3-10(4-7-12)13-11-5-8-14(2)9-6-11/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyDSPROHAEWLTVSM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds4

About 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile

3-[(1-methylpiperidin-4-yl)amino]pentanenitrile (PubChem CID 43373491) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
PubChem CID43373491
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-3-10(4-7-12)13-11-5-8-14(2)9-6-11/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyDSPROHAEWLTVSM-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thian-4-ylamino)pentanenitrile
CID 62646226
1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
3-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 104695392
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile
CID 106257121
3-[(1-methylpyrrolidin-3-yl)amino]butanenitrile
CID 61462253
3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
CID 112682097
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
CID 55101555
1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
CID 130709605
3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
CID 62646058
N-hex-5-yn-3-yl-1-phenylpiperidin-4-amine
CID 103786007

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile (CID 43373491) is 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile is CCC(CC#N)NC1CCN(C)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile?
The InChIKey is DSPROHAEWLTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-10(4-7-12)13-11-5-8-14(2)9-6-11/h10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile?
3-[(1-methylpiperidin-4-yl)amino]pentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 43373491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).