(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine

C9H19N — CID 88873550

IUPAC(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine
SMILESC=C(CC)NC[C@@H](C)CC
InChIInChI=1S/C9H19N/c1-5-8(3)7-10-9(4)6-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAOXUQUXBWJAXHV-QMMMGPOBSA-N
MW141.26 g/mol
LogP2.55
Rot. Bonds5

About (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine

(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine (PubChem CID 88873550) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine
PubChem CID88873550
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine
SMILESC=C(CC)NC[C@@H](C)CC
InChIInChI=1S/C9H19N/c1-5-8(3)7-10-9(4)6-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAOXUQUXBWJAXHV-QMMMGPOBSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine?
The IUPAC name of (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine (CID 88873550) is (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine.
What is the SMILES notation for (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine?
The canonical SMILES for (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine is C=C(CC)NC[C@@H](C)CC.
What is the InChIKey of (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine?
The InChIKey is AOXUQUXBWJAXHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8(3)7-10-9(4)6-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine?
(2S)-N-but-1-en-2-yl-2-methylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-but-1-en-2-yl-2-methylbutan-1-amine is sourced from PubChem (CID 88873550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).