N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine

C10H21NO — CID 103522682

IUPACN-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine
SMILESCOC(C)C(C)NCC=C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-7-11-9(3)10(4)12-5/h6,9-11H,7H2,1-5H3
InChIKeyVDOHCZLZHOTWPN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds5

About N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine

N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine (PubChem CID 103522682) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine
PubChem CID103522682
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine
SMILESCOC(C)C(C)NCC=C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-7-11-9(3)10(4)12-5/h6,9-11H,7H2,1-5H3
InChIKeyVDOHCZLZHOTWPN-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine (CID 103522682) is N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine is COC(C)C(C)NCC=C(C)C.
What is the InChIKey of N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine?
The InChIKey is VDOHCZLZHOTWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-7-11-9(3)10(4)12-5/h6,9-11H,7H2,1-5H3.
What are the key properties of N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine?
N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103522682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).