N,3,3-trimethylbutan-1-amine;hydrochloride

C7H18ClN — CID 25049771

IUPACN,3,3-trimethylbutan-1-amine;hydrochloride
SMILESCNCCC(C)(C)C.Cl
InChIInChI=1S/C7H17N.ClH/c1-7(2,3)5-6-8-4;/h8H,5-6H2,1-4H3;1H
InChIKeyFDTCSDVBBFMZSZ-UHFFFAOYSA-N
MW151.68 g/mol
LogP2.06
Rot. Bonds2

About N,3,3-trimethylbutan-1-amine;hydrochloride

N,3,3-trimethylbutan-1-amine;hydrochloride (PubChem CID 25049771) has the molecular formula C7H18ClN and a molecular weight of 151.68 g/mol. Its IUPAC name is N,3,3-trimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,3,3-trimethylbutan-1-amine;hydrochloride
PubChem CID25049771
Molecular FormulaC7H18ClN
Molecular Weight151.68 g/mol
Exact Mass151.11
IUPAC NameN,3,3-trimethylbutan-1-amine;hydrochloride
SMILESCNCCC(C)(C)C.Cl
InChIInChI=1S/C7H17N.ClH/c1-7(2,3)5-6-8-4;/h8H,5-6H2,1-4H3;1H
InChIKeyFDTCSDVBBFMZSZ-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylbutan-1-amine;hydrochloride?
The IUPAC name of N,3,3-trimethylbutan-1-amine;hydrochloride (CID 25049771) is N,3,3-trimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for N,3,3-trimethylbutan-1-amine;hydrochloride?
The canonical SMILES for N,3,3-trimethylbutan-1-amine;hydrochloride is CNCCC(C)(C)C.Cl.
What is the InChIKey of N,3,3-trimethylbutan-1-amine;hydrochloride?
The InChIKey is FDTCSDVBBFMZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.ClH/c1-7(2,3)5-6-8-4;/h8H,5-6H2,1-4H3;1H.
What are the key properties of N,3,3-trimethylbutan-1-amine;hydrochloride?
N,3,3-trimethylbutan-1-amine;hydrochloride has a molecular weight of 151.68 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 25049771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).