N-(2-methylpropoxy)hex-5-en-2-amine

C10H21NO — CID 104655833

IUPACN-(2-methylpropoxy)hex-5-en-2-amine
SMILESC=CCCC(C)NOCC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-10(4)11-12-8-9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRAKIQOJRRVOORE-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.52
Rot. Bonds7

About N-(2-methylpropoxy)hex-5-en-2-amine

N-(2-methylpropoxy)hex-5-en-2-amine (PubChem CID 104655833) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-methylpropoxy)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)hex-5-en-2-amine
PubChem CID104655833
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-methylpropoxy)hex-5-en-2-amine
SMILESC=CCCC(C)NOCC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-10(4)11-12-8-9(2)3/h5,9-11H,1,6-8H2,2-4H3
InChIKeyRAKIQOJRRVOORE-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
N-(2-methylpropoxy)butan-2-amine
CID 82709503
N-(2-methylpropoxy)ethenamine
CID 57072177
N-(2-methylpropoxy)hept-6-en-1-amine
CID 107007042
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 104581510
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
CID 104582576
N-(2-ethoxypropyl)hex-5-en-2-amine
CID 104582728
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)hex-5-en-2-amine?
The IUPAC name of N-(2-methylpropoxy)hex-5-en-2-amine (CID 104655833) is N-(2-methylpropoxy)hex-5-en-2-amine.
What is the SMILES notation for N-(2-methylpropoxy)hex-5-en-2-amine?
The canonical SMILES for N-(2-methylpropoxy)hex-5-en-2-amine is C=CCCC(C)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)hex-5-en-2-amine?
The InChIKey is RAKIQOJRRVOORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-10(4)11-12-8-9(2)3/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of N-(2-methylpropoxy)hex-5-en-2-amine?
N-(2-methylpropoxy)hex-5-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)hex-5-en-2-amine is sourced from PubChem (CID 104655833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).