N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine

C10H18Cl2N2 — CID 147606810

IUPACN,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCN1CC=C(N(CCCl)CCCl)CC1
InChIInChI=1S/C10H18Cl2N2/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12/h2H,3-9H2,1H3
InChIKeyGBFLKVLZENGXCW-UHFFFAOYSA-N
MW237.17 g/mol
LogP1.99
Rot. Bonds5

About N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine

N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 147606810) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID147606810
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC NameN,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCN1CC=C(N(CCCl)CCCl)CC1
InChIInChI=1S/C10H18Cl2N2/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12/h2H,3-9H2,1H3
InChIKeyGBFLKVLZENGXCW-UHFFFAOYSA-N
XLogP1.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 147606810) is N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine is CN1CC=C(N(CCCl)CCCl)CC1.
What is the InChIKey of N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is GBFLKVLZENGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12/h2H,3-9H2,1H3.
What are the key properties of N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine?
N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 237.17 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 147606810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).