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

C10H21NO — CID 107907040

IUPACN-but-3-en-2-yl-1-methoxypentan-2-amine
SMILESC=CC(C)NC(CCC)COC
InChIInChI=1S/C10H21NO/c1-5-7-10(8-12-4)11-9(3)6-2/h6,9-11H,2,5,7-8H2,1,3-4H3
InChIKeyWZEKVHJMLCUJRT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

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

N-but-3-en-2-yl-1-methoxypentan-2-amine (PubChem CID 107907040) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-but-3-en-2-yl-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-1-methoxypentan-2-amine
PubChem CID107907040
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-but-3-en-2-yl-1-methoxypentan-2-amine
SMILESC=CC(C)NC(CCC)COC
InChIInChI=1S/C10H21NO/c1-5-7-10(8-12-4)11-9(3)6-2/h6,9-11H,2,5,7-8H2,1,3-4H3
InChIKeyWZEKVHJMLCUJRT-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
CID 115722644
N-(1-methoxypentan-2-yl)formamide
CID 64991687
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
CID 115722621
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
1-N-(1-methoxypentan-2-yl)cyclobutane-1,3-diamine
CID 80562207

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-1-methoxypentan-2-amine?
The IUPAC name of N-but-3-en-2-yl-1-methoxypentan-2-amine (CID 107907040) is N-but-3-en-2-yl-1-methoxypentan-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-1-methoxypentan-2-amine?
The canonical SMILES for N-but-3-en-2-yl-1-methoxypentan-2-amine is C=CC(C)NC(CCC)COC.
What is the InChIKey of N-but-3-en-2-yl-1-methoxypentan-2-amine?
The InChIKey is WZEKVHJMLCUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-10(8-12-4)11-9(3)6-2/h6,9-11H,2,5,7-8H2,1,3-4H3.
What are the key properties of N-but-3-en-2-yl-1-methoxypentan-2-amine?
N-but-3-en-2-yl-1-methoxypentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-1-methoxypentan-2-amine is sourced from PubChem (CID 107907040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).