6-N-benzylspiro[2.5]octane-2,6-diamine

C15H22N2 — CID 130138432

IUPAC6-N-benzylspiro[2.5]octane-2,6-diamine
SMILESNC1CC12CCC(NCc1ccccc1)CC2
InChIInChI=1S/C15H22N2/c16-14-10-15(14)8-6-13(7-9-15)17-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2
InChIKeyHZLAEVRUQAHAMT-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.44
Rot. Bonds3

About 6-N-benzylspiro[2.5]octane-2,6-diamine

6-N-benzylspiro[2.5]octane-2,6-diamine (PubChem CID 130138432) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 6-N-benzylspiro[2.5]octane-2,6-diamine.

Molecular Properties

Compound Name6-N-benzylspiro[2.5]octane-2,6-diamine
PubChem CID130138432
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name6-N-benzylspiro[2.5]octane-2,6-diamine
SMILESNC1CC12CCC(NCc1ccccc1)CC2
InChIInChI=1S/C15H22N2/c16-14-10-15(14)8-6-13(7-9-15)17-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2
InChIKeyHZLAEVRUQAHAMT-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;N-benzylcyclohexanamine
CID 142622843
N-benzylspiro[2.5]octan-7-amine
CID 67386163
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-benzyl-2-oxaspiro[3.3]heptan-7-amine
CID 171819307
ethyl 4-(benzylamino)-1-methylcyclohexane-1-carboxylate
CID 118993829
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
CID 156595341
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-benzyloxepan-4-amine
CID 65076712

Frequently Asked Questions

What is the IUPAC name of 6-N-benzylspiro[2.5]octane-2,6-diamine?
The IUPAC name of 6-N-benzylspiro[2.5]octane-2,6-diamine (CID 130138432) is 6-N-benzylspiro[2.5]octane-2,6-diamine.
What is the SMILES notation for 6-N-benzylspiro[2.5]octane-2,6-diamine?
The canonical SMILES for 6-N-benzylspiro[2.5]octane-2,6-diamine is NC1CC12CCC(NCc1ccccc1)CC2.
What is the InChIKey of 6-N-benzylspiro[2.5]octane-2,6-diamine?
The InChIKey is HZLAEVRUQAHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-10-15(14)8-6-13(7-9-15)17-11-12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2.
What are the key properties of 6-N-benzylspiro[2.5]octane-2,6-diamine?
6-N-benzylspiro[2.5]octane-2,6-diamine has a molecular weight of 230.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzylspiro[2.5]octane-2,6-diamine is sourced from PubChem (CID 130138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).