N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

C16H28N2 — CID 114096315

IUPACN-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNC1(CCNC2C3C4CCC(C4)C23)CCCCC1
InChIInChI=1S/C16H28N2/c17-16(6-2-1-3-7-16)8-9-18-15-13-11-4-5-12(10-11)14(13)15/h11-15,18H,1-10,17H2
InChIKeyIUMMZVHIWXGWRF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114096315) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114096315
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNC1(CCNC2C3C4CCC(C4)C23)CCCCC1
InChIInChI=1S/C16H28N2/c17-16(6-2-1-3-7-16)8-9-18-15-13-11-4-5-12(10-11)14(13)15/h11-15,18H,1-10,17H2
InChIKeyIUMMZVHIWXGWRF-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114096315) is N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is NC1(CCNC2C3C4CCC(C4)C23)CCCCC1.
What is the InChIKey of N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is IUMMZVHIWXGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c17-16(6-2-1-3-7-16)8-9-18-15-13-11-4-5-12(10-11)14(13)15/h11-15,18H,1-10,17H2.
What are the key properties of N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclohexyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114096315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).