N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine

C16H31N — CID 170364736

IUPACN-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
SMILESCCNC1CC2CCC(C)CCCCC1CC2
InChIInChI=1S/C16H31N/c1-3-17-16-12-14-9-8-13(2)6-4-5-7-15(16)11-10-14/h13-17H,3-12H2,1-2H3
InChIKeyCDMMCSIQVHIYPJ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds2

About N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine

N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine (PubChem CID 170364736) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine.

Molecular Properties

Compound NameN-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
PubChem CID170364736
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
SMILESCCNC1CC2CCC(C)CCCCC1CC2
InChIInChI=1S/C16H31N/c1-3-17-16-12-14-9-8-13(2)6-4-5-7-15(16)11-10-14/h13-17H,3-12H2,1-2H3
InChIKeyCDMMCSIQVHIYPJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
CID 130621528
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
butane;methylcyclopentane
CID 142053859
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
N'-(2-bicyclo[2.2.2]octanyl)ethane-1,2-diamine
CID 130691244
3-cyclohexyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64909861
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine?
The IUPAC name of N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine (CID 170364736) is N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine.
What is the SMILES notation for N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine?
The canonical SMILES for N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine is CCNC1CC2CCC(C)CCCCC1CC2.
What is the InChIKey of N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine?
The InChIKey is CDMMCSIQVHIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-17-16-12-14-9-8-13(2)6-4-5-7-15(16)11-10-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine?
N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine is sourced from PubChem (CID 170364736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).