(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine

C16H25N3 — CID 82623797

IUPAC(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine
SMILESNCC1CCNC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H25N3/c17-11-15-7-9-18-16(15)8-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13,17H2
InChIKeyXLHBPHGHSBMTBK-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.59
Rot. Bonds3

About (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine

(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine (PubChem CID 82623797) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine.

Molecular Properties

Compound Name(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine
PubChem CID82623797
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine
SMILESNCC1CCNC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H25N3/c17-11-15-7-9-18-16(15)8-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13,17H2
InChIKeyXLHBPHGHSBMTBK-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
CID 83693634
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
(1-benzylazepan-3-yl)methanamine
CID 15718476
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine?
The IUPAC name of (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine (CID 82623797) is (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine.
What is the SMILES notation for (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine?
The canonical SMILES for (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine is NCC1CCNC12CCCN(Cc1ccccc1)C2.
What is the InChIKey of (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine?
The InChIKey is XLHBPHGHSBMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-11-15-7-9-18-16(15)8-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13,17H2.
What are the key properties of (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine?
(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine is sourced from PubChem (CID 82623797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).