N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine

C12H25N — CID 126549331

IUPACN,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine
SMILESC=C(CCC)N(C)CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h2,7-10H2,1,3-6H3
InChIKeyDOJBASIUZMWVJQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.67
Rot. Bonds5

About N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine

N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine (PubChem CID 126549331) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine
PubChem CID126549331
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine
SMILESC=C(CCC)N(C)CCC(C)(C)C
InChIInChI=1S/C12H25N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h2,7-10H2,1,3-6H3
InChIKeyDOJBASIUZMWVJQ-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine (CID 126549331) is N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine is C=C(CCC)N(C)CCC(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine?
The InChIKey is DOJBASIUZMWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h2,7-10H2,1,3-6H3.
What are the key properties of N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine?
N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-pent-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 126549331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).