1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine

C11H22N2 — CID 15068657

IUPAC1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCCN1CC=C(N(C)C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6H,4-5,7-10H2,1-3H3
InChIKeyFUVVVGHTDQDWOX-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.94
Rot. Bonds4

About 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine

1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 15068657) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID15068657
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCCN1CC=C(N(C)C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6H,4-5,7-10H2,1-3H3
InChIKeyFUVVVGHTDQDWOX-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine (CID 15068657) is 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine is CCCCN1CC=C(N(C)C)CC1.
What is the InChIKey of 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is FUVVVGHTDQDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6H,4-5,7-10H2,1-3H3.
What are the key properties of 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine?
1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 15068657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).