N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine

C13H21ClN2 — CID 115776708

IUPACN-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)c1ccc(Cl)nc1
InChIInChI=1S/C13H21ClN2/c1-10(2)5-4-8-15-11(3)12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyUBJRYQFUHNBZKI-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.82
Rot. Bonds6

About N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine

N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine (PubChem CID 115776708) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
PubChem CID115776708
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)c1ccc(Cl)nc1
InChIInChI=1S/C13H21ClN2/c1-10(2)5-4-8-15-11(3)12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyUBJRYQFUHNBZKI-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
CID 115776636
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
CID 69291107
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
[1-(6-chloro-3-pyridinyl)-4-methylpentyl]hydrazine
CID 105252913
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
[1-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]cyclopropyl]methanol
CID 115776769
1-(6-chloro-3-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115776741

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine (CID 115776708) is N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine is CC(C)CCCNC(C)c1ccc(Cl)nc1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is UBJRYQFUHNBZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-10(2)5-4-8-15-11(3)12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine?
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 240.78 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 115776708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).