5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine

C10H21NO — CID 143625369

IUPAC5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine
SMILESC=C(CCC(C)N)OC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(11)6-7-9(2)12-10(3,4)5/h8H,2,6-7,11H2,1,3-5H3
InChIKeyAXDACELBMUJPGC-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.44
Rot. Bonds4

About 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine

5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine (PubChem CID 143625369) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine
PubChem CID143625369
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine
SMILESC=C(CCC(C)N)OC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(11)6-7-9(2)12-10(3,4)5/h8H,2,6-7,11H2,1,3-5H3
InChIKeyAXDACELBMUJPGC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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

5-(4-Aminohex-1-en-2-yloxy)hex-5-en-3-amine
CID 22146191
2-(3-Aminohex-1-en-2-yloxy)hex-1-en-3-amine
CID 88168410
(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine
CID 142371237
5-Methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
CID 163573837
(2S)-5-methoxyhex-5-en-2-amine
CID 176689752
(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
CID 178163292
4-Methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105163008

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine (CID 143625369) is 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine is C=C(CCC(C)N)OC(C)(C)C.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine?
The InChIKey is AXDACELBMUJPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(11)6-7-9(2)12-10(3,4)5/h8H,2,6-7,11H2,1,3-5H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine?
5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]hex-5-en-2-amine is sourced from PubChem (CID 143625369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).