N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen

C15H31N — CID 144978462

IUPACN-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen
SMILESCCNC1CCCC2(CCCCCC2)CC1.[H][H]
InChIInChI=1S/C15H29N.H2/c1-2-16-14-8-7-12-15(13-9-14)10-5-3-4-6-11-15;/h14,16H,2-13H2,1H3;1H
InChIKeyOTLFMUNMXKVBSE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds2

About N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen

N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen (PubChem CID 144978462) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen
PubChem CID144978462
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen
SMILESCCNC1CCCC2(CCCCCC2)CC1.[H][H]
InChIInChI=1S/C15H29N.H2/c1-2-16-14-8-7-12-15(13-9-14)10-5-3-4-6-11-15;/h14,16H,2-13H2,1H3;1H
InChIKeyOTLFMUNMXKVBSE-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
ethane;N-ethylcyclohexanamine
CID 144865505
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
N-ethylcyclopentanamine;methanol
CID 161343027
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
CID 114816994
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
1-chloro-2-spiro[5.5]undecan-3-ylhydrazine
CID 91121573
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726

Frequently Asked Questions

What is the IUPAC name of N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen?
The IUPAC name of N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen (CID 144978462) is N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen.
What is the SMILES notation for N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen?
The canonical SMILES for N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen is CCNC1CCCC2(CCCCCC2)CC1.[H][H].
What is the InChIKey of N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen?
The InChIKey is OTLFMUNMXKVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.H2/c1-2-16-14-8-7-12-15(13-9-14)10-5-3-4-6-11-15;/h14,16H,2-13H2,1H3;1H.
What are the key properties of N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen?
N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen has a molecular weight of 225.42 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylspiro[6.6]tridecan-4-amine;molecular hydrogen is sourced from PubChem (CID 144978462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).