2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine

C11H23N — CID 126546817

IUPAC2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine
SMILESC/C=C\N(C)CC(C)(CC)CC
InChIInChI=1S/C11H23N/c1-6-9-12(5)10-11(4,7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6-
InChIKeyXNMDXGQZZAZFCC-TWGQIWQCSA-N
MW169.31 g/mol
LogP3.28
Rot. Bonds5

About 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine

2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine (PubChem CID 126546817) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine
PubChem CID126546817
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine
SMILESC/C=C\N(C)CC(C)(CC)CC
InChIInChI=1S/C11H23N/c1-6-9-12(5)10-11(4,7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6-
InChIKeyXNMDXGQZZAZFCC-TWGQIWQCSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine (CID 126546817) is 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine is C/C=C\N(C)CC(C)(CC)CC.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine?
The InChIKey is XNMDXGQZZAZFCC-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9-12(5)10-11(4,7-2)8-3/h6,9H,7-8,10H2,1-5H3/b9-6-.
What are the key properties of 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine?
2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-amine is sourced from PubChem (CID 126546817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).