N-but-1-en-2-yl-3-methylbutan-1-amine

C9H19N — CID 88873551

IUPACN-but-1-en-2-yl-3-methylbutan-1-amine
SMILESC=C(CC)NCCC(C)C
InChIInChI=1S/C9H19N/c1-5-9(4)10-7-6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyNAADTAYHQVBERG-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.55
Rot. Bonds5

About N-but-1-en-2-yl-3-methylbutan-1-amine

N-but-1-en-2-yl-3-methylbutan-1-amine (PubChem CID 88873551) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-but-1-en-2-yl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-3-methylbutan-1-amine
PubChem CID88873551
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-but-1-en-2-yl-3-methylbutan-1-amine
SMILESC=C(CC)NCCC(C)C
InChIInChI=1S/C9H19N/c1-5-9(4)10-7-6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyNAADTAYHQVBERG-UHFFFAOYSA-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 N-but-1-en-2-yl-3-methylbutan-1-amine?
The IUPAC name of N-but-1-en-2-yl-3-methylbutan-1-amine (CID 88873551) is N-but-1-en-2-yl-3-methylbutan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-3-methylbutan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-3-methylbutan-1-amine is C=C(CC)NCCC(C)C.
What is the InChIKey of N-but-1-en-2-yl-3-methylbutan-1-amine?
The InChIKey is NAADTAYHQVBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-9(4)10-7-6-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-3-methylbutan-1-amine?
N-but-1-en-2-yl-3-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 N-but-1-en-2-yl-3-methylbutan-1-amine is sourced from PubChem (CID 88873551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).