3-methyl-3-prop-2-enoxybutan-1-amine

C8H17NO — CID 177036552

IUPAC3-methyl-3-prop-2-enoxybutan-1-amine
SMILESC=CCOC(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4H,1,5-7,9H2,2-3H3
InChIKeyBULJUPVCMIKNGW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About 3-methyl-3-prop-2-enoxybutan-1-amine

3-methyl-3-prop-2-enoxybutan-1-amine (PubChem CID 177036552) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-prop-2-enoxybutan-1-amine
PubChem CID177036552
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-3-prop-2-enoxybutan-1-amine
SMILESC=CCOC(C)(C)CCN
InChIInChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4H,1,5-7,9H2,2-3H3
InChIKeyBULJUPVCMIKNGW-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
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

3-(2-Methylbut-3-en-2-yloxy)propan-1-amine
CID 22416197
Propan-1-amine;3-prop-2-enoxyprop-1-ene
CID 88606342
4-Methyl-4-prop-2-enoxypentan-2-amine
CID 89190935
Butan-1-amine;3-ethoxyprop-1-ene
CID 135353084
N,3-dimethyl-3-prop-2-enoxybutan-1-amine
CID 142450320
3-Methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
CID 145279702
3-(2,3-Dimethylbut-3-en-2-yloxy)propan-1-amine
CID 156158380
3-methyl-3-[(E)-prop-1-enoxy]butan-1-amine
CID 163525100
(E)-3-ethoxy-3-methylhex-4-en-1-amine
CID 163902015
3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine
CID 173379348
CID 173699302
CID 173699302
3-Methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
CID 177036551

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-2-enoxybutan-1-amine?
The IUPAC name of 3-methyl-3-prop-2-enoxybutan-1-amine (CID 177036552) is 3-methyl-3-prop-2-enoxybutan-1-amine.
What is the SMILES notation for 3-methyl-3-prop-2-enoxybutan-1-amine?
The canonical SMILES for 3-methyl-3-prop-2-enoxybutan-1-amine is C=CCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-prop-2-enoxybutan-1-amine?
The InChIKey is BULJUPVCMIKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-10-8(2,3)5-6-9/h4H,1,5-7,9H2,2-3H3.
What are the key properties of 3-methyl-3-prop-2-enoxybutan-1-amine?
3-methyl-3-prop-2-enoxybutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 177036552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).