N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine

C10H21NO — CID 105107974

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
SMILESC=CCC(COC(C)(C)C)NC
InChIInChI=1S/C10H21NO/c1-6-7-9(11-5)8-12-10(2,3)4/h6,9,11H,1,7-8H2,2-5H3
InChIKeyIAVBIYFYEHYLIR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (PubChem CID 105107974) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
PubChem CID105107974
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
SMILESC=CCC(COC(C)(C)C)NC
InChIInChI=1S/C10H21NO/c1-6-7-9(11-5)8-12-10(2,3)4/h6,9,11H,1,7-8H2,2-5H3
InChIKeyIAVBIYFYEHYLIR-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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Related Compounds

N-methyl-1-propan-2-yloxypent-4-en-2-amine
CID 116660601
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
1-tert-butylsulfanyl-N-methylpent-4-en-2-amine
CID 65132724
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
CID 105179503
1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
CID 79093787
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 59906417
5-ethoxy-N,5-dimethylhept-1-en-4-amine
CID 116758698
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 59906425

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (CID 105107974) is N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is C=CCC(COC(C)(C)C)NC.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The InChIKey is IAVBIYFYEHYLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-9(11-5)8-12-10(2,3)4/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-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-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is sourced from PubChem (CID 105107974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).