N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine

C13H21N3 — CID 154643200

IUPACN-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(CCc1ncccn1)NCCCCC
InChIInChI=1S/C13H21N3/c1-3-4-5-9-14-12(2)7-8-13-15-10-6-11-16-13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyVYBNEVVJFZUAIX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.70
Rot. Bonds8

About N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine

N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine (PubChem CID 154643200) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine
PubChem CID154643200
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(CCc1ncccn1)NCCCCC
InChIInChI=1S/C13H21N3/c1-3-4-5-9-14-12(2)7-8-13-15-10-6-11-16-13/h6,10-11,14H,2-5,7-9H2,1H3
InChIKeyVYBNEVVJFZUAIX-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.70
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-hexyloct-1-en-2-amine
CID 169110016
2-nonylpyrimidine
CID 23297050
N-butylhept-1-en-2-amine
CID 170620308
2-dodecylpyrimidine;methane
CID 174491203
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine?
The IUPAC name of N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine (CID 154643200) is N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine.
What is the SMILES notation for N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine?
The canonical SMILES for N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine is C=C(CCc1ncccn1)NCCCCC.
What is the InChIKey of N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine?
The InChIKey is VYBNEVVJFZUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-5-9-14-12(2)7-8-13-15-10-6-11-16-13/h6,10-11,14H,2-5,7-9H2,1H3.
What are the key properties of N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine?
N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine is sourced from PubChem (CID 154643200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).