1-pyrimidin-4-yldecan-1-amine

C14H25N3 — CID 63989976

IUPAC1-pyrimidin-4-yldecan-1-amine
SMILESCCCCCCCCCC(N)c1ccncn1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-17-14/h10-13H,2-9,15H2,1H3
InChIKeyUYWKGZYHXLBTEN-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.62
Rot. Bonds9

About 1-pyrimidin-4-yldecan-1-amine

1-pyrimidin-4-yldecan-1-amine (PubChem CID 63989976) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-pyrimidin-4-yldecan-1-amine.

Molecular Properties

Compound Name1-pyrimidin-4-yldecan-1-amine
PubChem CID63989976
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-pyrimidin-4-yldecan-1-amine
SMILESCCCCCCCCCC(N)c1ccncn1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-17-14/h10-13H,2-9,15H2,1H3
InChIKeyUYWKGZYHXLBTEN-UHFFFAOYSA-N
XLogP3.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.62
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

4-decan-3-ylpyrimidine
CID 170150821
1-pyrimidin-4-yldecylhydrazine
CID 105220997
1-pyridin-4-ylnonan-1-amine
CID 62600271
1-pyrazin-2-ylnonan-1-amine
CID 62600507
1-pyrazin-2-yltridecan-1-amine
CID 62601846
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-yldecan-1-amine?
The IUPAC name of 1-pyrimidin-4-yldecan-1-amine (CID 63989976) is 1-pyrimidin-4-yldecan-1-amine.
What is the SMILES notation for 1-pyrimidin-4-yldecan-1-amine?
The canonical SMILES for 1-pyrimidin-4-yldecan-1-amine is CCCCCCCCCC(N)c1ccncn1.
What is the InChIKey of 1-pyrimidin-4-yldecan-1-amine?
The InChIKey is UYWKGZYHXLBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-3-4-5-6-7-8-9-13(15)14-10-11-16-12-17-14/h10-13H,2-9,15H2,1H3.
What are the key properties of 1-pyrimidin-4-yldecan-1-amine?
1-pyrimidin-4-yldecan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-yldecan-1-amine is sourced from PubChem (CID 63989976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).