4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine

C11H19N3 — CID 62699736

IUPAC4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCc1ncccn1
InChIInChI=1S/C11H19N3/c1-10(2)5-3-6-12-9-11-13-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3
InChIKeyDDOLOHZCYSXVLF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.00
Rot. Bonds6

About 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine

4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine (PubChem CID 62699736) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
PubChem CID62699736
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
SMILESCC(C)CCCNCc1ncccn1
InChIInChI=1S/C11H19N3/c1-10(2)5-3-6-12-9-11-13-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3
InChIKeyDDOLOHZCYSXVLF-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.00
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-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106
5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 63927515
6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
CID 107845269
2-[(5-methylhexylamino)methyl]pyridin-3-amine
CID 104740216
2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
CID 64570932
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
4-(pyrimidin-2-ylmethylamino)butanamide
CID 62700289
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861
3,3,3-trifluoro-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 63226377
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine (CID 62699736) is 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine is CC(C)CCCNCc1ncccn1.
What is the InChIKey of 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine?
The InChIKey is DDOLOHZCYSXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)5-3-6-12-9-11-13-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3.
What are the key properties of 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine?
4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62699736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).