3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine

C17H31N — CID 114097337

IUPAC3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H31N/c1-3-5-6-11(4-2)9-14(18)17-15-12-7-8-13(10-12)16(15)17/h11-17H,3-10,18H2,1-2H3
InChIKeyKDYHFJXSZLGTCI-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.21
Rot. Bonds7

About 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine

3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine (PubChem CID 114097337) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
PubChem CID114097337
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
SMILESCCCCC(CC)CC(N)C1C2C3CCC(C3)C12
InChIInChI=1S/C17H31N/c1-3-5-6-11(4-2)9-14(18)17-15-12-7-8-13(10-12)16(15)17/h11-17H,3-10,18H2,1-2H3
InChIKeyKDYHFJXSZLGTCI-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-methylcyclohexyl)heptan-1-amine
CID 63414730
3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423369
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-one
CID 114097291
3-ethyl-1-(thiolan-2-yl)heptan-1-amine
CID 80622703
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
1-(1,1-dioxothian-2-yl)-3-ethylheptan-1-amine
CID 115806090
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethylheptyl]hydrazine
CID 105288269
(5S)-3,5-diethylnonane;methane
CID 159387669
6-ethyl-4-methyldecan-3-amine
CID 63562264
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
7-ethyl-3-methylundecan-5-amine
CID 115806452

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine?
The IUPAC name of 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine (CID 114097337) is 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine is CCCCC(CC)CC(N)C1C2C3CCC(C3)C12.
What is the InChIKey of 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine?
The InChIKey is KDYHFJXSZLGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-5-6-11(4-2)9-14(18)17-15-12-7-8-13(10-12)16(15)17/h11-17H,3-10,18H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine?
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine is sourced from PubChem (CID 114097337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).