N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C14H29N3 — CID 167233694

IUPACN-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCCCCCCC(C)(C)NC1=NCCCN1
InChIInChI=1S/C14H29N3/c1-4-5-6-7-8-10-14(2,3)17-13-15-11-9-12-16-13/h4-12H2,1-3H3,(H2,15,16,17)
InChIKeyRWXFFXWLTNPFFL-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.06
Rot. Bonds7

About N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 167233694) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID167233694
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCCCCCCC(C)(C)NC1=NCCCN1
InChIInChI=1S/C14H29N3/c1-4-5-6-7-8-10-14(2,3)17-13-15-11-9-12-16-13/h4-12H2,1-3H3,(H2,15,16,17)
InChIKeyRWXFFXWLTNPFFL-UHFFFAOYSA-N
XLogP3.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131223497
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
CID 130778822
2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
CID 119113118
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
tert-butyl 2,2-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butanoate;hydroiodide
CID 122125604
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285
N-(2-methyltridecan-2-yl)aniline
CID 67784312
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 109467637
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465883
N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
CID 130344576

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 167233694) is N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is CCCCCCCC(C)(C)NC1=NCCCN1.
What is the InChIKey of N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is RWXFFXWLTNPFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-6-7-8-10-14(2,3)17-13-15-11-9-12-16-13/h4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 239.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 167233694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).