4,4-dimethyl-3-methylidenepentan-1-amine

C8H17N — CID 117269018

IUPAC4,4-dimethyl-3-methylidenepentan-1-amine
SMILESC=C(CCN)C(C)(C)C
InChIInChI=1S/C8H17N/c1-7(5-6-9)8(2,3)4/h1,5-6,9H2,2-4H3
InChIKeyNBSBWRHGYRRNKH-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds2

About 4,4-dimethyl-3-methylidenepentan-1-amine

4,4-dimethyl-3-methylidenepentan-1-amine (PubChem CID 117269018) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-methylidenepentan-1-amine
PubChem CID117269018
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name4,4-dimethyl-3-methylidenepentan-1-amine
SMILESC=C(CCN)C(C)(C)C
InChIInChI=1S/C8H17N/c1-7(5-6-9)8(2,3)4/h1,5-6,9H2,2-4H3
InChIKeyNBSBWRHGYRRNKH-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methylidenepentan-1-amine?
The IUPAC name of 4,4-dimethyl-3-methylidenepentan-1-amine (CID 117269018) is 4,4-dimethyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-methylidenepentan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-methylidenepentan-1-amine is C=C(CCN)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-methylidenepentan-1-amine?
The InChIKey is NBSBWRHGYRRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(5-6-9)8(2,3)4/h1,5-6,9H2,2-4H3.
What are the key properties of 4,4-dimethyl-3-methylidenepentan-1-amine?
4,4-dimethyl-3-methylidenepentan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 117269018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).