N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C12H21N3 — CID 110914322

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1=C(CCNC2=NCCCN2)CCCC1
InChIInChI=1S/C12H21N3/c1-2-5-11(6-3-1)7-10-15-12-13-8-4-9-14-12/h5H,1-4,6-10H2,(H2,13,14,15)
InChIKeyCDIAULKSCXCLCW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110914322) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110914322
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1=C(CCNC2=NCCCN2)CCCC1
InChIInChI=1S/C12H21N3/c1-2-5-11(6-3-1)7-10-15-12-13-8-4-9-14-12/h5H,1-4,6-10H2,(H2,13,14,15)
InChIKeyCDIAULKSCXCLCW-UHFFFAOYSA-N
XLogP1.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 127014926
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285
N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 51105474
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60658905
N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
N-[2-(5-bromo-2-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918871
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460857
N-[2-(5-methylpyrazin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 126835658

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110914322) is N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C1=C(CCNC2=NCCCN2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is CDIAULKSCXCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-5-11(6-3-1)7-10-15-12-13-8-4-9-14-12/h5H,1-4,6-10H2,(H2,13,14,15).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110914322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).