N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine

C14H29N3 — CID 117022799

IUPACN,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine
SMILESCN(C)CCCN1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H29N3/c1-16(2)8-3-9-17-10-5-13(6-11-17)14-4-7-15-12-14/h13-15H,3-12H2,1-2H3
InChIKeyAHBKNWAUWBXRPM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.26
Rot. Bonds5

About N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine

N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine (PubChem CID 117022799) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine
PubChem CID117022799
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine
SMILESCN(C)CCCN1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H29N3/c1-16(2)8-3-9-17-10-5-13(6-11-17)14-4-7-15-12-14/h13-15H,3-12H2,1-2H3
InChIKeyAHBKNWAUWBXRPM-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine
CID 58591136
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
N-methyl-N-(3-piperidin-1-ylpropyl)piperidin-3-amine;dihydrochloride
CID 154890245
N,N-dimethyl-4-pyrrolidin-3-ylpiperidine-1-sulfonamide
CID 115269628
1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 130992420
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-(2-fluoroethyl)-4-piperidin-4-ylpiperidine
CID 174296448
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692
1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
CID 114525377
N-pyrrolidin-3-yl-N-(3-pyrrolidin-1-ylpropyl)cyclopropanecarboxamide
CID 172908880
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine (CID 117022799) is N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine is CN(C)CCCN1CCC(C2CCNC2)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is AHBKNWAUWBXRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)8-3-9-17-10-5-13(6-11-17)14-4-7-15-12-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine?
N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 117022799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).