N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine

C17H23N3 — CID 114789119

IUPACN-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
SMILESCC1CCCC(CCNc2ncc3ccccc3n2)C1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)9-10-18-17-19-12-15-7-2-3-8-16(15)20-17/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H,18,19,20)
InChIKeySQXMKIFXMSYEMQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine

N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine (PubChem CID 114789119) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
PubChem CID114789119
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
SMILESCC1CCCC(CCNc2ncc3ccccc3n2)C1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)9-10-18-17-19-12-15-7-2-3-8-16(15)20-17/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H,18,19,20)
InChIKeySQXMKIFXMSYEMQ-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine (CID 114789119) is N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine is CC1CCCC(CCNc2ncc3ccccc3n2)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine?
The InChIKey is SQXMKIFXMSYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)9-10-18-17-19-12-15-7-2-3-8-16(15)20-17/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine?
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine is sourced from PubChem (CID 114789119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).