2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine

C14H27N — CID 18710932

IUPAC2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine
SMILESC=CCN(CC=C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H27N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-9H,1-2,10-12H2,3-7H3
InChIKeyGCSYCPDPBNRKMH-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds6

About 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine

2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine (PubChem CID 18710932) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine
PubChem CID18710932
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine
SMILESC=CCN(CC=C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H27N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-9H,1-2,10-12H2,3-7H3
InChIKeyGCSYCPDPBNRKMH-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine (CID 18710932) is 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine is C=CCN(CC=C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine?
The InChIKey is GCSYCPDPBNRKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-9H,1-2,10-12H2,3-7H3.
What are the key properties of 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine?
2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N,N-bis(prop-2-enyl)pentan-2-amine is sourced from PubChem (CID 18710932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).