4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

C17H29N5 — CID 70971210

IUPAC4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESCCC(CN)N(C)c1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C17H29N5/c1-3-12(11-18)22(2)15-13-7-6-10-17(8-4-5-9-17)14(13)20-16(19)21-15/h12H,3-11,18H2,1-2H3,(H2,19,20,21)
InChIKeyWXBIELSXBSNVSK-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.38
Rot. Bonds4

About 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine

4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (PubChem CID 70971210) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
PubChem CID70971210
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
SMILESCCC(CN)N(C)c1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C17H29N5/c1-3-12(11-18)22(2)15-13-7-6-10-17(8-4-5-9-17)14(13)20-16(19)21-15/h12H,3-11,18H2,1-2H3,(H2,19,20,21)
InChIKeyWXBIELSXBSNVSK-UHFFFAOYSA-N
XLogP2.38
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The IUPAC name of 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine (CID 70971210) is 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine.
What is the SMILES notation for 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The canonical SMILES for 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is CCC(CN)N(C)c1nc(N)nc2c1CCCC21CCCC1.
What is the InChIKey of 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
The InChIKey is WXBIELSXBSNVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-3-12(11-18)22(2)15-13-7-6-10-17(8-4-5-9-17)14(13)20-16(19)21-15/h12H,3-11,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine?
4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine has a molecular weight of 303.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine is sourced from PubChem (CID 70971210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).