6,6-dimethylheptan-3-amine;hydrochloride

C9H22ClN — CID 170889059

IUPAC6,6-dimethylheptan-3-amine;hydrochloride
SMILESCCC(N)CCC(C)(C)C.Cl
InChIInChI=1S/C9H21N.ClH/c1-5-8(10)6-7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H
InChIKeyZNCFXTFKZAPGNM-UHFFFAOYSA-N
MW179.73 g/mol
LogP2.97
Rot. Bonds3

About 6,6-dimethylheptan-3-amine;hydrochloride

6,6-dimethylheptan-3-amine;hydrochloride (PubChem CID 170889059) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is 6,6-dimethylheptan-3-amine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethylheptan-3-amine;hydrochloride
PubChem CID170889059
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Name6,6-dimethylheptan-3-amine;hydrochloride
SMILESCCC(N)CCC(C)(C)C.Cl
InChIInChI=1S/C9H21N.ClH/c1-5-8(10)6-7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H
InChIKeyZNCFXTFKZAPGNM-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hexane-1,1,1,4-tetramine
CID 91202489
1-ethylsulfanyl-5,5-dimethylhexan-2-amine
CID 65128014
tetradecane-3,6,9,12-tetramine
CID 140993886
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
ethane;hexan-3-amine
CID 143616305
hexane-1,4-diamine;hydrochloride
CID 118144198
tritriactan-3-amine;hydrochloride
CID 173389490
5-chloro-2,2-dimethylheptane
CID 64506638
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
ethane;hexan-3-amine;methane
CID 145152462
3-aminopentyl tert-butyl carbonate
CID 174407601

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylheptan-3-amine;hydrochloride?
The IUPAC name of 6,6-dimethylheptan-3-amine;hydrochloride (CID 170889059) is 6,6-dimethylheptan-3-amine;hydrochloride.
What is the SMILES notation for 6,6-dimethylheptan-3-amine;hydrochloride?
The canonical SMILES for 6,6-dimethylheptan-3-amine;hydrochloride is CCC(N)CCC(C)(C)C.Cl.
What is the InChIKey of 6,6-dimethylheptan-3-amine;hydrochloride?
The InChIKey is ZNCFXTFKZAPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-5-8(10)6-7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H.
What are the key properties of 6,6-dimethylheptan-3-amine;hydrochloride?
6,6-dimethylheptan-3-amine;hydrochloride has a molecular weight of 179.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylheptan-3-amine;hydrochloride is sourced from PubChem (CID 170889059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).