N,5-diethyl-1-pyridin-4-ylheptan-3-amine

C16H28N2 — CID 105176845

IUPACN,5-diethyl-1-pyridin-4-ylheptan-3-amine
SMILESCCNC(CCc1ccncc1)CC(CC)CC
InChIInChI=1S/C16H28N2/c1-4-14(5-2)13-16(18-6-3)8-7-15-9-11-17-12-10-15/h9-12,14,16,18H,4-8,13H2,1-3H3
InChIKeyOVCGNSCRUPHAFC-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.82
Rot. Bonds9

About N,5-diethyl-1-pyridin-4-ylheptan-3-amine

N,5-diethyl-1-pyridin-4-ylheptan-3-amine (PubChem CID 105176845) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,5-diethyl-1-pyridin-4-ylheptan-3-amine.

Molecular Properties

Compound NameN,5-diethyl-1-pyridin-4-ylheptan-3-amine
PubChem CID105176845
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,5-diethyl-1-pyridin-4-ylheptan-3-amine
SMILESCCNC(CCc1ccncc1)CC(CC)CC
InChIInChI=1S/C16H28N2/c1-4-14(5-2)13-16(18-6-3)8-7-15-9-11-17-12-10-15/h9-12,14,16,18H,4-8,13H2,1-3H3
InChIKeyOVCGNSCRUPHAFC-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine
CID 105181542
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine
CID 105082999

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-1-pyridin-4-ylheptan-3-amine?
The IUPAC name of N,5-diethyl-1-pyridin-4-ylheptan-3-amine (CID 105176845) is N,5-diethyl-1-pyridin-4-ylheptan-3-amine.
What is the SMILES notation for N,5-diethyl-1-pyridin-4-ylheptan-3-amine?
The canonical SMILES for N,5-diethyl-1-pyridin-4-ylheptan-3-amine is CCNC(CCc1ccncc1)CC(CC)CC.
What is the InChIKey of N,5-diethyl-1-pyridin-4-ylheptan-3-amine?
The InChIKey is OVCGNSCRUPHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-14(5-2)13-16(18-6-3)8-7-15-9-11-17-12-10-15/h9-12,14,16,18H,4-8,13H2,1-3H3.
What are the key properties of N,5-diethyl-1-pyridin-4-ylheptan-3-amine?
N,5-diethyl-1-pyridin-4-ylheptan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-1-pyridin-4-ylheptan-3-amine is sourced from PubChem (CID 105176845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).