5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine

C10H22N2O — CID 103391198

IUPAC5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
SMILESC=C(C)CNC(CCCN)COC
InChIInChI=1S/C10H22N2O/c1-9(2)7-12-10(8-13-3)5-4-6-11/h10,12H,1,4-8,11H2,2-3H3
InChIKeyRJYDKDNVBSWFBB-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.91
Rot. Bonds8

About 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine

5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine (PubChem CID 103391198) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
PubChem CID103391198
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
SMILESC=C(C)CNC(CCCN)COC
InChIInChI=1S/C10H22N2O/c1-9(2)7-12-10(8-13-3)5-4-6-11/h10,12H,1,4-8,11H2,2-3H3
InChIKeyRJYDKDNVBSWFBB-UHFFFAOYSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
CID 176568687
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 55070191
N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
2-methoxy-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 62331734
N-(2-methylprop-2-enyl)oxan-3-amine
CID 63363550
1-methoxy-N-(2-methylprop-2-enyl)pentan-2-amine
CID 64410730
1-methoxy-N-prop-2-enylpentan-2-amine
CID 64411155
1-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64411750
N-ethyl-1-methoxy-4-methylidenehexan-2-amine
CID 66039702
1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 66039703
N-(1-methoxybutan-2-yl)-2-methylidenebutan-1-amine
CID 66047134
1-methoxy-N-(2-methylidenebutyl)pentan-2-amine
CID 66047135

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine (CID 103391198) is 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine is C=C(C)CNC(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The InChIKey is RJYDKDNVBSWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)7-12-10(8-13-3)5-4-6-11/h10,12H,1,4-8,11H2,2-3H3.
What are the key properties of 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine is sourced from PubChem (CID 103391198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).