1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine

C17H26N4 — CID 103278484

IUPAC1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine
SMILESNC1CCCN(c2ncc3c(n2)CCC2(CCCC2)C3)C1
InChIInChI=1S/C17H26N4/c18-14-4-3-9-21(12-14)16-19-11-13-10-17(6-1-2-7-17)8-5-15(13)20-16/h11,14H,1-10,12,18H2
InChIKeyVSKSAIARZSFYOU-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds1

About 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine

1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine (PubChem CID 103278484) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine
PubChem CID103278484
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine
SMILESNC1CCCN(c2ncc3c(n2)CCC2(CCCC2)C3)C1
InChIInChI=1S/C17H26N4/c18-14-4-3-9-21(12-14)16-19-11-13-10-17(6-1-2-7-17)8-5-15(13)20-16/h11,14H,1-10,12,18H2
InChIKeyVSKSAIARZSFYOU-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)piperidin-3-amine
CID 83837795
2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 86263335
1-(8-ethyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-amine
CID 103278409
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278632
[1-(6-propan-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-3-yl]methanamine
CID 103278777
1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
CID 103278417
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532
(6R)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 28820466
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
1-(8,8-dimethyl-6,7-dihydro-5H-quinazolin-2-yl)piperidin-4-amine
CID 103278609
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150

Frequently Asked Questions

What is the IUPAC name of 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine?
The IUPAC name of 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine (CID 103278484) is 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine?
The canonical SMILES for 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine is NC1CCCN(c2ncc3c(n2)CCC2(CCCC2)C3)C1.
What is the InChIKey of 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine?
The InChIKey is VSKSAIARZSFYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-14-4-3-9-21(12-14)16-19-11-13-10-17(6-1-2-7-17)8-5-15(13)20-16/h11,14H,1-10,12,18H2.
What are the key properties of 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine?
1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine has a molecular weight of 286.42 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[7,8-dihydro-5H-quinazoline-6,1'-cyclopentane]-2-ylpiperidin-3-amine is sourced from PubChem (CID 103278484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).