N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine

C16H22N4 — CID 143957231

IUPACN-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
SMILESNCCC1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c17-10-9-12-5-7-13(8-6-12)20-16-14-3-1-2-4-15(14)18-11-19-16/h1-4,11-13H,5-10,17H2,(H,18,19,20)
InChIKeyPBBHXPWXLZPIML-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine

N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine (PubChem CID 143957231) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
PubChem CID143957231
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
SMILESNCCC1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c17-10-9-12-5-7-13(8-6-12)20-16-14-3-1-2-4-15(14)18-11-19-16/h1-4,11-13H,5-10,17H2,(H,18,19,20)
InChIKeyPBBHXPWXLZPIML-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
2-N-[4-(2-aminoethyl)cyclohexyl]quinazoline-2,4-diamine;hydrochloride
CID 67719963
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
N-[4-(2-aminoethyl)cyclohexyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 143957177
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 115599555

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine?
The IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine (CID 143957231) is N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine?
The canonical SMILES for N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine is NCCC1CCC(Nc2ncnc3ccccc23)CC1.
What is the InChIKey of N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine?
The InChIKey is PBBHXPWXLZPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-10-9-12-5-7-13(8-6-12)20-16-14-3-1-2-4-15(14)18-11-19-16/h1-4,11-13H,5-10,17H2,(H,18,19,20).
What are the key properties of N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine?
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine is sourced from PubChem (CID 143957231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).