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

C10H21NO — CID 105163008

IUPAC4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
SMILESC=C(C)CC(N)COC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-12-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeySMIPONOCRWDGMK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds4

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

4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (PubChem CID 105163008) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
PubChem CID105163008
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
SMILESC=C(C)CC(N)COC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9(11)7-12-10(3,4)5/h9H,1,6-7,11H2,2-5H3
InChIKeySMIPONOCRWDGMK-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215714
1-Methoxy-4-methylpent-4-en-2-amine
CID 79179787
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(E,2S,3R)-2-ethoxy-5-methylhept-5-en-3-amine
CID 163670318
(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine
CID 11745084
3-Methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 23297116
1-Propoxyhex-5-en-2-amine
CID 64298953
2-Ethoxyhept-6-en-3-amine
CID 64540277
1-Ethoxyhex-5-en-2-amine
CID 65668037
2-Ethoxy-5-methylideneheptan-3-amine
CID 66037098
4-Methylidene-1-propoxyhexan-2-amine
CID 66038270
1-Methoxy-4-methylidenehexan-2-amine
CID 66039700

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (CID 105163008) is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is C=C(C)CC(N)COC(C)(C)C.
What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
The InChIKey is SMIPONOCRWDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-9(11)7-12-10(3,4)5/h9H,1,6-7,11H2,2-5H3.
What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?
4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is sourced from PubChem (CID 105163008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).