N,5-dimethyl-2-pyridin-4-ylheptan-3-amine

C14H24N2 — CID 114875188

IUPACN,5-dimethyl-2-pyridin-4-ylheptan-3-amine
SMILESCCC(C)CC(NC)C(C)c1ccncc1
InChIInChI=1S/C14H24N2/c1-5-11(2)10-14(15-4)12(3)13-6-8-16-9-7-13/h6-9,11-12,14-15H,5,10H2,1-4H3
InChIKeyICOAOIRUWNRSPD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.21
Rot. Bonds6

About N,5-dimethyl-2-pyridin-4-ylheptan-3-amine

N,5-dimethyl-2-pyridin-4-ylheptan-3-amine (PubChem CID 114875188) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,5-dimethyl-2-pyridin-4-ylheptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-pyridin-4-ylheptan-3-amine
PubChem CID114875188
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,5-dimethyl-2-pyridin-4-ylheptan-3-amine
SMILESCCC(C)CC(NC)C(C)c1ccncc1
InChIInChI=1S/C14H24N2/c1-5-11(2)10-14(15-4)12(3)13-6-8-16-9-7-13/h6-9,11-12,14-15H,5,10H2,1-4H3
InChIKeyICOAOIRUWNRSPD-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-pyridin-4-ylheptan-3-amine?
The IUPAC name of N,5-dimethyl-2-pyridin-4-ylheptan-3-amine (CID 114875188) is N,5-dimethyl-2-pyridin-4-ylheptan-3-amine.
What is the SMILES notation for N,5-dimethyl-2-pyridin-4-ylheptan-3-amine?
The canonical SMILES for N,5-dimethyl-2-pyridin-4-ylheptan-3-amine is CCC(C)CC(NC)C(C)c1ccncc1.
What is the InChIKey of N,5-dimethyl-2-pyridin-4-ylheptan-3-amine?
The InChIKey is ICOAOIRUWNRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(2)10-14(15-4)12(3)13-6-8-16-9-7-13/h6-9,11-12,14-15H,5,10H2,1-4H3.
What are the key properties of N,5-dimethyl-2-pyridin-4-ylheptan-3-amine?
N,5-dimethyl-2-pyridin-4-ylheptan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-pyridin-4-ylheptan-3-amine is sourced from PubChem (CID 114875188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).