3,3-dimethyl-N-prop-2-enylbutan-2-amine

C9H19N — CID 83814316

IUPAC3,3-dimethyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-7-10-8(2)9(3,4)5/h6,8,10H,1,7H2,2-5H3
InChIKeyRKMMYQDHNPGSRU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds3

About 3,3-dimethyl-N-prop-2-enylbutan-2-amine

3,3-dimethyl-N-prop-2-enylbutan-2-amine (PubChem CID 83814316) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,3-dimethyl-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-prop-2-enylbutan-2-amine
PubChem CID83814316
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,3-dimethyl-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-7-10-8(2)9(3,4)5/h6,8,10H,1,7H2,2-5H3
InChIKeyRKMMYQDHNPGSRU-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
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 3,3-dimethyl-N-prop-2-enylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-N-prop-2-enylbutan-2-amine (CID 83814316) is 3,3-dimethyl-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-prop-2-enylbutan-2-amine is C=CCNC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-prop-2-enylbutan-2-amine?
The InChIKey is RKMMYQDHNPGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-7-10-8(2)9(3,4)5/h6,8,10H,1,7H2,2-5H3.
What are the key properties of 3,3-dimethyl-N-prop-2-enylbutan-2-amine?
3,3-dimethyl-N-prop-2-enylbutan-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 83814316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).