N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C20H29N3 — CID 176582892

IUPACN-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCCC3C4CC5CC(C4)CC3C5)n1)CCCC2
InChIInChI=1S/C20H29N3/c1-2-4-19-18(3-1)20(23-12-22-19)21-6-5-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17H,1-11H2,(H,21,22,23)
InChIKeyHFYHECVAYOIVLB-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.23
Rot. Bonds4

About N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 176582892) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID176582892
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCCC3C4CC5CC(C4)CC3C5)n1)CCCC2
InChIInChI=1S/C20H29N3/c1-2-4-19-18(3-1)20(23-12-22-19)21-6-5-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17H,1-11H2,(H,21,22,23)
InChIKeyHFYHECVAYOIVLB-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103990755
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115701962
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675424

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 176582892) is N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is c1nc2c(c(NCCC3C4CC5CC(C4)CC3C5)n1)CCCC2.
What is the InChIKey of N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HFYHECVAYOIVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-2-4-19-18(3-1)20(23-12-22-19)21-6-5-17-15-8-13-7-14(10-15)11-16(17)9-13/h12-17H,1-11H2,(H,21,22,23).
What are the key properties of N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 311.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 176582892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).