3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine

C11H22N2 — CID 114412953

IUPAC3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CC=CCC1
InChIInChI=1S/C11H22N2/c1-2-7-12-8-6-11-13-9-4-3-5-10-13/h3-4,12H,2,5-11H2,1H3
InChIKeyBJLUMGQQTOXYQA-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds6

About 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine

3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine (PubChem CID 114412953) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
PubChem CID114412953
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CC=CCC1
InChIInChI=1S/C11H22N2/c1-2-7-12-8-6-11-13-9-4-3-5-10-13/h3-4,12H,2,5-11H2,1H3
InChIKeyBJLUMGQQTOXYQA-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,6-Tetrahydropyridine
CID 12750
N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 173219399
4-Trimethylstannyl-3,6-dihydro-2h-pyridine
CID 129754402
2,3,4,5,6-Pentadeutero-1,2,3,6-tetrahydropyridine
CID 129814182
[2,2-Difluoro-3-(1,2,3,6-tetrahydropyridin-1-yl)propyl](methyl)amine
CID 165464056
[2,2-Difluoro-3-(1,2,3,6-tetrahydropyridin-1-yl)propyl](ethyl)amine
CID 165467370
(E)-N-propylpent-3-en-1-amine
CID 13800669
1-Methyl-1,2,3,6-tetrahydropyridin-1-ium
CID 6994392
(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 10351787
(E)-N-butylpent-3-en-1-amine
CID 15570249
(Z)-N-butylpent-3-en-1-amine
CID 15570250
(E)-N-[(E)-hex-3-enyl]hex-3-en-1-amine
CID 18512636

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine (CID 114412953) is 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine is CCCNCCCN1CC=CCC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine?
The InChIKey is BJLUMGQQTOXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-7-12-8-6-11-13-9-4-3-5-10-13/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine?
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114412953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).