N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride

C14H22ClN — CID 71315071

IUPACN-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H21N.ClH/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;1H/i1D3,2D2;
InChIKeyBDNANSUXFSDBMA-LUIAAVAXSA-N
MW244.82 g/mol
LogP3.88
Rot. Bonds4

About N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride

N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 71315071) has the molecular formula C14H22ClN and a molecular weight of 244.82 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID71315071
Molecular FormulaC14H22ClN
Molecular Weight244.82 g/mol
Exact Mass244.18
IUPAC NameN-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H21N.ClH/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;1H/i1D3,2D2;
InChIKeyBDNANSUXFSDBMA-LUIAAVAXSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride (CID 71315071) is N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])NC1(c2ccccc2)CCCCC1.
What is the InChIKey of N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is BDNANSUXFSDBMA-LUIAAVAXSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;1H/i1D3,2D2;.
What are the key properties of N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride?
N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 244.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71315071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).