N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine

C14H24N2 — CID 143141535

IUPACN-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(C)Cc1ccncc1
InChIInChI=1S/C14H24N2/c1-4-6-7-14(5-2)16(3)12-13-8-10-15-11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyZOSYCBDAMXLFKE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.48
Rot. Bonds7

About N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine

N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine (PubChem CID 143141535) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine
PubChem CID143141535
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(C)Cc1ccncc1
InChIInChI=1S/C14H24N2/c1-4-6-7-14(5-2)16(3)12-13-8-10-15-11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyZOSYCBDAMXLFKE-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine (CID 143141535) is N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine is CCCCC(CC)N(C)Cc1ccncc1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine?
The InChIKey is ZOSYCBDAMXLFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-7-14(5-2)16(3)12-13-8-10-15-11-9-13/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine?
N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine is sourced from PubChem (CID 143141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).