N,3,3-trimethylbutan-1-amine

C7H17N — CID 18738714

IUPACN,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)C
InChIInChI=1S/C7H17N/c1-7(2,3)5-6-8-4/h8H,5-6H2,1-4H3
InChIKeyWAZBVLOECYSDDA-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.64
Rot. Bonds2

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

N,3,3-trimethylbutan-1-amine (PubChem CID 18738714) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethylbutan-1-amine
PubChem CID18738714
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC NameN,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)C
InChIInChI=1S/C7H17N/c1-7(2,3)5-6-8-4/h8H,5-6H2,1-4H3
InChIKeyWAZBVLOECYSDDA-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.64
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?
The IUPAC name of N,3,3-trimethylbutan-1-amine (CID 18738714) is N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N,3,3-trimethylbutan-1-amine?
The canonical SMILES for N,3,3-trimethylbutan-1-amine is CNCCC(C)(C)C.
What is the InChIKey of N,3,3-trimethylbutan-1-amine?
The InChIKey is WAZBVLOECYSDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-7(2,3)5-6-8-4/h8H,5-6H2,1-4H3.
What are the key properties of N,3,3-trimethylbutan-1-amine?
N,3,3-trimethylbutan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.64, 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 is sourced from PubChem (CID 18738714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).