3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen

C8H19NO — CID 177036551

IUPAC3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
SMILESC=CCOC(C)(C)CCN.[H][H]
InChIInChI=1S/C8H17NO.H2/c1-4-7-10-8(2,3)5-6-9;/h4H,1,5-7,9H2,2-3H3;1H
InChIKeyRMEKWGHFKVFZFL-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.56
Rot. Bonds5

About 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen

3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen (PubChem CID 177036551) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
PubChem CID177036551
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
SMILESC=CCOC(C)(C)CCN.[H][H]
InChIInChI=1S/C8H17NO.H2/c1-4-7-10-8(2,3)5-6-9;/h4H,1,5-7,9H2,2-3H3;1H
InChIKeyRMEKWGHFKVFZFL-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.56
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-2-prop-2-enoxybutan-1-amine
CID 14954769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen?
The IUPAC name of 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen (CID 177036551) is 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen?
The canonical SMILES for 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen is C=CCOC(C)(C)CCN.[H][H].
What is the InChIKey of 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen?
The InChIKey is RMEKWGHFKVFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.H2/c1-4-7-10-8(2,3)5-6-9;/h4H,1,5-7,9H2,2-3H3;1H.
What are the key properties of 3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen?
3-methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen has a molecular weight of 145.25 g/mol, XLogP of 1.56, 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;molecular hydrogen is sourced from PubChem (CID 177036551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).