5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine

C12H26N2O2 — CID 103391180

IUPAC5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
SMILESC=C(C)COCCNC(CCCN)COC
InChIInChI=1S/C12H26N2O2/c1-11(2)9-16-8-7-14-12(10-15-3)5-4-6-13/h12,14H,1,4-10,13H2,2-3H3
InChIKeyHOZMEPBFTMXATO-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.92
Rot. Bonds11

About 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine

5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine (PubChem CID 103391180) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
PubChem CID103391180
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
SMILESC=C(C)COCCNC(CCCN)COC
InChIInChI=1S/C12H26N2O2/c1-11(2)9-16-8-7-14-12(10-15-3)5-4-6-13/h12,14H,1,4-10,13H2,2-3H3
InChIKeyHOZMEPBFTMXATO-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
2-(2-Methylidenebutoxymethyl)pyrrolidine
CID 66045266
5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 103391198
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine
CID 106180602
2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 114465645
N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 114465648
3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine
CID 114465673

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine (CID 103391180) is 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine is C=C(C)COCCNC(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine?
The InChIKey is HOZMEPBFTMXATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)9-16-8-7-14-12(10-15-3)5-4-6-13/h12,14H,1,4-10,13H2,2-3H3.
What are the key properties of 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.92, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 103391180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).