N-ethyl-3-methylhexan-2-amine;hydrochloride

C9H22ClN — CID 50988214

IUPACN-ethyl-3-methylhexan-2-amine;hydrochloride
SMILESCCCC(C)C(C)NCC.Cl
InChIInChI=1S/C9H21N.ClH/c1-5-7-8(3)9(4)10-6-2;/h8-10H,5-7H2,1-4H3;1H
InChIKeyKXNTXPNZNSVDKX-UHFFFAOYSA-N
MW179.73 g/mol
LogP2.84
Rot. Bonds5

About N-ethyl-3-methylhexan-2-amine;hydrochloride

N-ethyl-3-methylhexan-2-amine;hydrochloride (PubChem CID 50988214) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is N-ethyl-3-methylhexan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-methylhexan-2-amine;hydrochloride
PubChem CID50988214
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC NameN-ethyl-3-methylhexan-2-amine;hydrochloride
SMILESCCCC(C)C(C)NCC.Cl
InChIInChI=1S/C9H21N.ClH/c1-5-7-8(3)9(4)10-6-2;/h8-10H,5-7H2,1-4H3;1H
InChIKeyKXNTXPNZNSVDKX-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 221524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylhexan-2-amine;hydrochloride?
The IUPAC name of N-ethyl-3-methylhexan-2-amine;hydrochloride (CID 50988214) is N-ethyl-3-methylhexan-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-3-methylhexan-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-3-methylhexan-2-amine;hydrochloride is CCCC(C)C(C)NCC.Cl.
What is the InChIKey of N-ethyl-3-methylhexan-2-amine;hydrochloride?
The InChIKey is KXNTXPNZNSVDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-5-7-8(3)9(4)10-6-2;/h8-10H,5-7H2,1-4H3;1H.
What are the key properties of N-ethyl-3-methylhexan-2-amine;hydrochloride?
N-ethyl-3-methylhexan-2-amine;hydrochloride has a molecular weight of 179.73 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylhexan-2-amine;hydrochloride is sourced from PubChem (CID 50988214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).