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

C11H22N2 — CID 114410564

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC=CCC1
InChIInChI=1S/C11H22N2/c1-2-3-7-11(12)10-13-8-5-4-6-9-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyQDBKFWCZSFCCCE-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.77
Rot. Bonds5

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

1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine (PubChem CID 114410564) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
PubChem CID114410564
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC=CCC1
InChIInChI=1S/C11H22N2/c1-2-3-7-11(12)10-13-8-5-4-6-9-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyQDBKFWCZSFCCCE-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-morpholin-4-ylhexan-2-amine
CID 60852253
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
CID 115560295
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
CID 114410673
1-octan-4-yl-3,6-dihydro-2H-pyridine
CID 90965036

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine (CID 114410564) is 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine is CCCCC(N)CN1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The InChIKey is QDBKFWCZSFCCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-7-11(12)10-13-8-5-4-6-9-13/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine is sourced from PubChem (CID 114410564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).