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

C9H19N — CID 147849080

IUPACN-but-1-en-2-yl-2-methylbutan-2-amine
SMILESC=C(CC)NC(C)(C)CC
InChIInChI=1S/C9H19N/c1-6-8(3)10-9(4,5)7-2/h10H,3,6-7H2,1-2,4-5H3
InChIKeyHULQKOCNGKDHCV-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.69
Rot. Bonds4

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

N-but-1-en-2-yl-2-methylbutan-2-amine (PubChem CID 147849080) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-methylbutan-2-amine
PubChem CID147849080
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-but-1-en-2-yl-2-methylbutan-2-amine
SMILESC=C(CC)NC(C)(C)CC
InChIInChI=1S/C9H19N/c1-6-8(3)10-9(4,5)7-2/h10H,3,6-7H2,1-2,4-5H3
InChIKeyHULQKOCNGKDHCV-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.69
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-2-methylbutan-2-amine?
The IUPAC name of N-but-1-en-2-yl-2-methylbutan-2-amine (CID 147849080) is N-but-1-en-2-yl-2-methylbutan-2-amine.
What is the SMILES notation for N-but-1-en-2-yl-2-methylbutan-2-amine?
The canonical SMILES for N-but-1-en-2-yl-2-methylbutan-2-amine is C=C(CC)NC(C)(C)CC.
What is the InChIKey of N-but-1-en-2-yl-2-methylbutan-2-amine?
The InChIKey is HULQKOCNGKDHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(3)10-9(4,5)7-2/h10H,3,6-7H2,1-2,4-5H3.
What are the key properties of N-but-1-en-2-yl-2-methylbutan-2-amine?
N-but-1-en-2-yl-2-methylbutan-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.69, 4 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-2-methylbutan-2-amine is sourced from PubChem (CID 147849080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).