3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine

C12H23ClN2 — CID 134855904

IUPAC3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCN(CCC)C1=CCN(C)CC1Cl
InChIInChI=1S/C12H23ClN2/c1-4-7-15(8-5-2)12-6-9-14(3)10-11(12)13/h6,11H,4-5,7-10H2,1-3H3
InChIKeyDNIMKUVQGJDVFX-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.55
Rot. Bonds5

About 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine

3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 134855904) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID134855904
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCN(CCC)C1=CCN(C)CC1Cl
InChIInChI=1S/C12H23ClN2/c1-4-7-15(8-5-2)12-6-9-14(3)10-11(12)13/h6,11H,4-5,7-10H2,1-3H3
InChIKeyDNIMKUVQGJDVFX-UHFFFAOYSA-N
XLogP2.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-dimethylamino-1,2,5,6-tetrahydropyridine
CID 12664027
3-chloro-N,N,1-trimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 129923949
1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine
CID 134830533
1-Ethyl-4-dimethylamino-1,2,5,6-tetrahydropyridine
CID 15068656
1-Methyl-4-diethylamino-1,2,5,6-tetrahydropyridine
CID 15068658
N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 147606810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine (CID 134855904) is 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine is CCCN(CCC)C1=CCN(C)CC1Cl.
What is the InChIKey of 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is DNIMKUVQGJDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-4-7-15(8-5-2)12-6-9-14(3)10-11(12)13/h6,11H,4-5,7-10H2,1-3H3.
What are the key properties of 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine?
3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 230.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N,N-dipropyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 134855904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).