N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride

C16H30ClN — CID 2836011

IUPACN-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
SMILESCCN(CC)CC12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H29N.ClH/c1-3-17(4-2)12-16-9-13-5-6-14(10-16)8-15(7-13)11-16;/h13-15H,3-12H2,1-2H3;1H
InChIKeyCRAZLGONGCXVQG-UHFFFAOYSA-N
MW271.88 g/mol
LogP4.36
Rot. Bonds4

About N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride

N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride (PubChem CID 2836011) has the molecular formula C16H30ClN and a molecular weight of 271.88 g/mol. Its IUPAC name is N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
PubChem CID2836011
Molecular FormulaC16H30ClN
Molecular Weight271.88 g/mol
Exact Mass271.21
IUPAC NameN-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
SMILESCCN(CC)CC12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H29N.ClH/c1-3-17(4-2)12-16-9-13-5-6-14(10-16)8-15(7-13)11-16;/h13-15H,3-12H2,1-2H3;1H
InChIKeyCRAZLGONGCXVQG-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.88
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride (CID 2836011) is N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride is CCN(CC)CC12CC3CCC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride?
The InChIKey is CRAZLGONGCXVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N.ClH/c1-3-17(4-2)12-16-9-13-5-6-14(10-16)8-15(7-13)11-16;/h13-15H,3-12H2,1-2H3;1H.
What are the key properties of N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride?
N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride has a molecular weight of 271.88 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 2836011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).