9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine

C23H41N — CID 174357886

IUPAC9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine
SMILESNC1(C2CCC3(CCCCCC3)CC2)CCCC2(CCCC2)CC1
InChIInChI=1S/C23H41N/c24-23(15-7-14-21(18-19-23)12-5-6-13-21)20-8-16-22(17-9-20)10-3-1-2-4-11-22/h20H,1-19,24H2
InChIKeyVBMLCLXFTHEZJH-UHFFFAOYSA-N
MW331.59 g/mol
LogP6.74
Rot. Bonds1

About 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine

9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine (PubChem CID 174357886) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine.

Molecular Properties

Compound Name9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine
PubChem CID174357886
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine
SMILESNC1(C2CCC3(CCCCCC3)CC2)CCCC2(CCCC2)CC1
InChIInChI=1S/C23H41N/c24-23(15-7-14-21(18-19-23)12-5-6-13-21)20-8-16-22(17-9-20)10-3-1-2-4-11-22/h20H,1-19,24H2
InChIKeyVBMLCLXFTHEZJH-UHFFFAOYSA-N
XLogP6.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctylcyclooctan-1-amine
CID 19973273
bicyclo[3.2.0]heptan-1-amine
CID 148858770
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[5.6]dodecan-3-amine
CID 56639662
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
spiro[2.6]nonane;hydrochloride
CID 141316852
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
1-(4-ethoxycyclohexyl)cyclohexan-1-amine
CID 66769157
3-methylspiro[5.6]dodecane
CID 143797283

Frequently Asked Questions

What is the IUPAC name of 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine?
The IUPAC name of 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine (CID 174357886) is 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine.
What is the SMILES notation for 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine?
The canonical SMILES for 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine is NC1(C2CCC3(CCCCCC3)CC2)CCCC2(CCCC2)CC1.
What is the InChIKey of 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine?
The InChIKey is VBMLCLXFTHEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c24-23(15-7-14-21(18-19-23)12-5-6-13-21)20-8-16-22(17-9-20)10-3-1-2-4-11-22/h20H,1-19,24H2.
What are the key properties of 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine?
9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine has a molecular weight of 331.59 g/mol, XLogP of 6.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-spiro[5.6]dodecan-3-ylspiro[4.6]undecan-9-amine is sourced from PubChem (CID 174357886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).