N,5-dimethyl-1-pyridin-4-ylhexan-3-amine

C13H22N2 — CID 105082999

IUPACN,5-dimethyl-1-pyridin-4-ylhexan-3-amine
SMILESCNC(CCc1ccncc1)CC(C)C
InChIInChI=1S/C13H22N2/c1-11(2)10-13(14-3)5-4-12-6-8-15-9-7-12/h6-9,11,13-14H,4-5,10H2,1-3H3
InChIKeyQOXSVNXYONMFPR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds6

About N,5-dimethyl-1-pyridin-4-ylhexan-3-amine

N,5-dimethyl-1-pyridin-4-ylhexan-3-amine (PubChem CID 105082999) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,5-dimethyl-1-pyridin-4-ylhexan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-pyridin-4-ylhexan-3-amine
PubChem CID105082999
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,5-dimethyl-1-pyridin-4-ylhexan-3-amine
SMILESCNC(CCc1ccncc1)CC(C)C
InChIInChI=1S/C13H22N2/c1-11(2)10-13(14-3)5-4-12-6-8-15-9-7-12/h6-9,11,13-14H,4-5,10H2,1-3H3
InChIKeyQOXSVNXYONMFPR-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
CID 105182482
4-(3,7-dimethyloctyl)pyridine
CID 139896876
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
1-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 103053100
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-pyridin-4-ylhexan-3-amine?
The IUPAC name of N,5-dimethyl-1-pyridin-4-ylhexan-3-amine (CID 105082999) is N,5-dimethyl-1-pyridin-4-ylhexan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-pyridin-4-ylhexan-3-amine?
The canonical SMILES for N,5-dimethyl-1-pyridin-4-ylhexan-3-amine is CNC(CCc1ccncc1)CC(C)C.
What is the InChIKey of N,5-dimethyl-1-pyridin-4-ylhexan-3-amine?
The InChIKey is QOXSVNXYONMFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)10-13(14-3)5-4-12-6-8-15-9-7-12/h6-9,11,13-14H,4-5,10H2,1-3H3.
What are the key properties of N,5-dimethyl-1-pyridin-4-ylhexan-3-amine?
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-pyridin-4-ylhexan-3-amine is sourced from PubChem (CID 105082999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).