N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3 — CID 113259136

IUPACN-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCC1(CNc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H21N3/c1-2-14(7-8-14)9-15-13-11-5-3-4-6-12(11)16-10-17-13/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyBRZKUXYLQINDNW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 113259136) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID113259136
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCC1(CNc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H21N3/c1-2-14(7-8-14)9-15-13-11-5-3-4-6-12(11)16-10-17-13/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyBRZKUXYLQINDNW-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 113259136) is N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is CCC1(CNc2ncnc3c2CCCC3)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is BRZKUXYLQINDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-14(7-8-14)9-15-13-11-5-3-4-6-12(11)16-10-17-13/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 113259136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).