N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine

C15H23ClN2 — CID 107002016

IUPACN-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1Cl)C1CC1(C)C
InChIInChI=1S/C15H23ClN2/c1-4-6-18-14(12-9-15(12,2)3)8-11-5-7-17-10-13(11)16/h5,7,10,12,14,18H,4,6,8-9H2,1-3H3
InChIKeyZWVLEMRMHYCWMN-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine

N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 107002016) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
PubChem CID107002016
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1Cl)C1CC1(C)C
InChIInChI=1S/C15H23ClN2/c1-4-6-18-14(12-9-15(12,2)3)8-11-5-7-17-10-13(11)16/h5,7,10,12,14,18H,4,6,8-9H2,1-3H3
InChIKeyZWVLEMRMHYCWMN-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-pyridinyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 112655711
N-[2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 103346402
3-[2-(2,2-dimethylcyclopropyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 107925499
N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107004920
N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 107004989
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
1-(3-chloro-4-pyridinyl)-5-methoxy-N-propylhexan-2-amine
CID 105157342
1-(3-chloro-4-pyridinyl)-4,6,6-trimethyl-N-propylheptan-2-amine
CID 104994393
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107001925

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (CID 107002016) is N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1ccncc1Cl)C1CC1(C)C.
What is the InChIKey of N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is ZWVLEMRMHYCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-4-6-18-14(12-9-15(12,2)3)8-11-5-7-17-10-13(11)16/h5,7,10,12,14,18H,4,6,8-9H2,1-3H3.
What are the key properties of N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 107002016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).