2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine

C16H25N3 — CID 70949207

IUPAC2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine
SMILESCNC1C=CC2=C(C1)NC(=C1CCC1)N(C(C)C)C2
InChIInChI=1S/C16H25N3/c1-11(2)19-10-13-7-8-14(17-3)9-15(13)18-16(19)12-5-4-6-12/h7-8,11,14,17-18H,4-6,9-10H2,1-3H3
InChIKeyDEIOGTFAAXDLTD-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.50
Rot. Bonds2

About 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine

2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine (PubChem CID 70949207) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine.

Molecular Properties

Compound Name2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine
PubChem CID70949207
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine
SMILESCNC1C=CC2=C(C1)NC(=C1CCC1)N(C(C)C)C2
InChIInChI=1S/C16H25N3/c1-11(2)19-10-13-7-8-14(17-3)9-15(13)18-16(19)12-5-4-6-12/h7-8,11,14,17-18H,4-6,9-10H2,1-3H3
InChIKeyDEIOGTFAAXDLTD-UHFFFAOYSA-N
XLogP2.50
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine?
The IUPAC name of 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine (CID 70949207) is 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine.
What is the SMILES notation for 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine?
The canonical SMILES for 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine is CNC1C=CC2=C(C1)NC(=C1CCC1)N(C(C)C)C2.
What is the InChIKey of 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine?
The InChIKey is DEIOGTFAAXDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)19-10-13-7-8-14(17-3)9-15(13)18-16(19)12-5-4-6-12/h7-8,11,14,17-18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine?
2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine has a molecular weight of 259.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-methyl-3-propan-2-yl-1,4,7,8-tetrahydroquinazolin-7-amine is sourced from PubChem (CID 70949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).