N-methyl-3-propan-2-yloxybut-3-en-2-amine

C8H17NO — CID 123473590

IUPACN-methyl-3-propan-2-yloxybut-3-en-2-amine
SMILESC=C(OC(C)C)C(C)NC
InChIInChI=1S/C8H17NO/c1-6(2)10-8(4)7(3)9-5/h6-7,9H,4H2,1-3,5H3
InChIKeyJYEMDGWQXCJJRP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-3-propan-2-yloxybut-3-en-2-amine

N-methyl-3-propan-2-yloxybut-3-en-2-amine (PubChem CID 123473590) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-3-propan-2-yloxybut-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yloxybut-3-en-2-amine
PubChem CID123473590
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-3-propan-2-yloxybut-3-en-2-amine
SMILESC=C(OC(C)C)C(C)NC
InChIInChI=1S/C8H17NO/c1-6(2)10-8(4)7(3)9-5/h6-7,9H,4H2,1-3,5H3
InChIKeyJYEMDGWQXCJJRP-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-methylbut-3-en-2-amine
CID 58324479
N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine
CID 87221766
N-ethyl-3-[3-(ethylamino)but-1-en-2-yloxy]but-3-en-2-amine
CID 88160115
2-ethoxy-N-prop-2-enylpent-1-en-3-amine
CID 88758604
3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine
CID 91556171
(2S)-3-propan-2-yloxybut-3-en-2-amine
CID 118683048
N-ethyl-3-methoxybut-3-en-2-amine
CID 123169566
N,4-dimethyl-2-propan-2-yloxypent-1-en-3-amine
CID 123675374
3-Butoxybut-3-en-2-amine
CID 126663219
2-butan-2-yloxy-N-methylbuta-2,3-dien-1-amine
CID 126687799
(2R)-3-(2-methylpropoxy)but-3-en-2-amine
CID 130402785
(2S)-3-butoxybut-3-en-2-amine
CID 143815001

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yloxybut-3-en-2-amine?
The IUPAC name of N-methyl-3-propan-2-yloxybut-3-en-2-amine (CID 123473590) is N-methyl-3-propan-2-yloxybut-3-en-2-amine.
What is the SMILES notation for N-methyl-3-propan-2-yloxybut-3-en-2-amine?
The canonical SMILES for N-methyl-3-propan-2-yloxybut-3-en-2-amine is C=C(OC(C)C)C(C)NC.
What is the InChIKey of N-methyl-3-propan-2-yloxybut-3-en-2-amine?
The InChIKey is JYEMDGWQXCJJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)10-8(4)7(3)9-5/h6-7,9H,4H2,1-3,5H3.
What are the key properties of N-methyl-3-propan-2-yloxybut-3-en-2-amine?
N-methyl-3-propan-2-yloxybut-3-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yloxybut-3-en-2-amine is sourced from PubChem (CID 123473590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).