N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine

C14H25N3 — CID 113329619

IUPACN-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
SMILESCCCCCCC(NCC)c1ccnc(C)n1
InChIInChI=1S/C14H25N3/c1-4-6-7-8-9-13(15-5-2)14-10-11-16-12(3)17-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyMBNRSZWUQFEHRY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine

N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine (PubChem CID 113329619) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
PubChem CID113329619
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
SMILESCCCCCCC(NCC)c1ccnc(C)n1
InChIInChI=1S/C14H25N3/c1-4-6-7-8-9-13(15-5-2)14-10-11-16-12(3)17-14/h10-11,13,15H,4-9H2,1-3H3
InChIKeyMBNRSZWUQFEHRY-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
CID 115530489
1-(2-methylpyrimidin-4-yl)undecylhydrazine
CID 105260655
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine (CID 113329619) is N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine is CCCCCCC(NCC)c1ccnc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine?
The InChIKey is MBNRSZWUQFEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-7-8-9-13(15-5-2)14-10-11-16-12(3)17-14/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine?
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine is sourced from PubChem (CID 113329619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).