N-butyl-N,3,3-trimethylbut-1-en-2-amine

C11H23N — CID 88928195

IUPACN-butyl-N,3,3-trimethylbut-1-en-2-amine
SMILESC=C(N(C)CCCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-8-9-12(6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyQVYRFCBKRJGMDA-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.28
Rot. Bonds4

About N-butyl-N,3,3-trimethylbut-1-en-2-amine

N-butyl-N,3,3-trimethylbut-1-en-2-amine (PubChem CID 88928195) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butyl-N,3,3-trimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-N,3,3-trimethylbut-1-en-2-amine
PubChem CID88928195
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butyl-N,3,3-trimethylbut-1-en-2-amine
SMILESC=C(N(C)CCCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-7-8-9-12(6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyQVYRFCBKRJGMDA-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3,3-trimethylbut-1-en-2-amine?
The IUPAC name of N-butyl-N,3,3-trimethylbut-1-en-2-amine (CID 88928195) is N-butyl-N,3,3-trimethylbut-1-en-2-amine.
What is the SMILES notation for N-butyl-N,3,3-trimethylbut-1-en-2-amine?
The canonical SMILES for N-butyl-N,3,3-trimethylbut-1-en-2-amine is C=C(N(C)CCCC)C(C)(C)C.
What is the InChIKey of N-butyl-N,3,3-trimethylbut-1-en-2-amine?
The InChIKey is QVYRFCBKRJGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-8-9-12(6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3.
What are the key properties of N-butyl-N,3,3-trimethylbut-1-en-2-amine?
N-butyl-N,3,3-trimethylbut-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3,3-trimethylbut-1-en-2-amine is sourced from PubChem (CID 88928195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).