N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride

C17H30ClN — CID 3028628

IUPACN,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride
SMILESCCN(CC)CCC(CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H29N.ClH/c1-5-18(6-2)13-12-17(14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,17H,5-6,12-14H2,1-4H3;1H
InChIKeyPWWBZZXUTBHEFJ-UHFFFAOYSA-N
MW283.89 g/mol
LogP4.97
Rot. Bonds8

About N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride

N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride (PubChem CID 3028628) has the molecular formula C17H30ClN and a molecular weight of 283.89 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride
PubChem CID3028628
Molecular FormulaC17H30ClN
Molecular Weight283.89 g/mol
Exact Mass283.21
IUPAC NameN,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride
SMILESCCN(CC)CCC(CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H29N.ClH/c1-5-18(6-2)13-12-17(14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,17H,5-6,12-14H2,1-4H3;1H
InChIKeyPWWBZZXUTBHEFJ-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.89
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride?
The IUPAC name of N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride (CID 3028628) is N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride is CCN(CC)CCC(CC(C)C)c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride?
The InChIKey is PWWBZZXUTBHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.ClH/c1-5-18(6-2)13-12-17(14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,17H,5-6,12-14H2,1-4H3;1H.
What are the key properties of N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride?
N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride has a molecular weight of 283.89 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-3-phenylhexan-1-amine;hydrochloride is sourced from PubChem (CID 3028628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).