pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine

C12H17N — CID 174360020

IUPACpentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine
SMILESNC12CCC1C1C3C4CCC4C3C12
InChIInChI=1S/C12H17N/c13-12-4-3-7(12)10-8-5-1-2-6(5)9(8)11(10)12/h5-11H,1-4,13H2
InChIKeyUIKNUTBWDGNLTP-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.63
Rot. Bonds

About pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine

pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine (PubChem CID 174360020) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine.

Molecular Properties

Compound Namepentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine
PubChem CID174360020
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Namepentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine
SMILESNC12CCC1C1C3C4CCC4C3C12
InChIInChI=1S/C12H17N/c13-12-4-3-7(12)10-8-5-1-2-6(5)9(8)11(10)12/h5-11H,1-4,13H2
InChIKeyUIKNUTBWDGNLTP-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane
CID 90831088
(12S)-octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadecane
CID 59762682
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
ethane;hexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 160503054
(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
CID 134980559
heptadecacyclo[16.14.1.02,17.03,16.04,15.05,14.06,13.07,12.08,11.019,22.020,32.020,33.021,24.021,31.023,26.024,30.025,29]tritriacontane
CID 59762676
CID 59762681
CID 59762681
pentacyclo[4.4.0.02,8.03,5.04,7]decane
CID 90487238
tert-butyl (1S,2S,3S,4S,7R,9R,11S)-hexacyclo[6.5.1.02,7.03,11.04,9.010,14]tetradecane-1-carboperoxoate
CID 163320186
tert-butyl (1S,2S,3S,4S,7R,8S,9R,11S)-hexacyclo[6.5.1.02,7.03,11.04,9.010,14]tetradecane-1-carboperoxoate
CID 10040615

Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine?
The IUPAC name of pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine (CID 174360020) is pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine.
What is the SMILES notation for pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine?
The canonical SMILES for pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine is NC12CCC1C1C3C4CCC4C3C12.
What is the InChIKey of pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine?
The InChIKey is UIKNUTBWDGNLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-4-3-7(12)10-8-5-1-2-6(5)9(8)11(10)12/h5-11H,1-4,13H2.
What are the key properties of pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine?
pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine has a molecular weight of 175.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine is sourced from PubChem (CID 174360020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).