N-(pyrimidin-5-ylmethyl)heptan-1-amine

C12H21N3 — CID 82672400

IUPACN-(pyrimidin-5-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cncnc1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-13-8-12-9-14-11-15-10-12/h9-11,13H,2-8H2,1H3
InChIKeyZFEWCOPRBCBWFV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds8

About N-(pyrimidin-5-ylmethyl)heptan-1-amine

N-(pyrimidin-5-ylmethyl)heptan-1-amine (PubChem CID 82672400) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)heptan-1-amine
PubChem CID82672400
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(pyrimidin-5-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cncnc1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-13-8-12-9-14-11-15-10-12/h9-11,13H,2-8H2,1H3
InChIKeyZFEWCOPRBCBWFV-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
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-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]heptan-1-amine
CID 102536055
5-[(octylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536334
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
CID 62763082
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
2-methylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62997720
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)heptan-1-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)heptan-1-amine (CID 82672400) is N-(pyrimidin-5-ylmethyl)heptan-1-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)heptan-1-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)heptan-1-amine is CCCCCCCNCc1cncnc1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)heptan-1-amine?
The InChIKey is ZFEWCOPRBCBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-4-5-6-7-13-8-12-9-14-11-15-10-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-(pyrimidin-5-ylmethyl)heptan-1-amine?
N-(pyrimidin-5-ylmethyl)heptan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)heptan-1-amine is sourced from PubChem (CID 82672400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).