N-methyl-1-pyrimidin-2-ylundecan-1-amine

C16H29N3 — CID 62600438

IUPACN-methyl-1-pyrimidin-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1ncccn1
InChIInChI=1S/C16H29N3/c1-3-4-5-6-7-8-9-10-12-15(17-2)16-18-13-11-14-19-16/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeySHAQCEXYHGDHPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.27
Rot. Bonds11

About N-methyl-1-pyrimidin-2-ylundecan-1-amine

N-methyl-1-pyrimidin-2-ylundecan-1-amine (PubChem CID 62600438) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-ylundecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-ylundecan-1-amine
PubChem CID62600438
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-1-pyrimidin-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(NC)c1ncccn1
InChIInChI=1S/C16H29N3/c1-3-4-5-6-7-8-9-10-12-15(17-2)16-18-13-11-14-19-16/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeySHAQCEXYHGDHPF-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.27
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

3-butoxy-N-methyl-1-pyrimidin-2-ylpropan-1-amine
CID 115001546
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
CID 115530489
1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
CID 105032040
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-2-ylundecan-1-amine?
The IUPAC name of N-methyl-1-pyrimidin-2-ylundecan-1-amine (CID 62600438) is N-methyl-1-pyrimidin-2-ylundecan-1-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-ylundecan-1-amine?
The canonical SMILES for N-methyl-1-pyrimidin-2-ylundecan-1-amine is CCCCCCCCCCC(NC)c1ncccn1.
What is the InChIKey of N-methyl-1-pyrimidin-2-ylundecan-1-amine?
The InChIKey is SHAQCEXYHGDHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-5-6-7-8-9-10-12-15(17-2)16-18-13-11-14-19-16/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of N-methyl-1-pyrimidin-2-ylundecan-1-amine?
N-methyl-1-pyrimidin-2-ylundecan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-ylundecan-1-amine is sourced from PubChem (CID 62600438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).