5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine

C11H24N2O — CID 106180602

IUPAC5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCC=C(C)C
InChIInChI=1S/C11H24N2O/c1-10(2)6-8-13-11(9-14-3)5-4-7-12/h6,11,13H,4-5,7-9,12H2,1-3H3
InChIKeySOXHSGAJWCPDPN-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.30
Rot. Bonds8

About 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine

5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine (PubChem CID 106180602) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine
PubChem CID106180602
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCC=C(C)C
InChIInChI=1S/C11H24N2O/c1-10(2)6-8-13-11(9-14-3)5-4-7-12/h6,11,13H,4-5,7-9,12H2,1-3H3
InChIKeySOXHSGAJWCPDPN-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.30
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

N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(1-methoxypentan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 64409618
N-(1-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 64409782
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-methylidenebutyl)pentan-2-amine
CID 66047135
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpentane-1,5-diamine
CID 103340264
1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine
CID 103340335
4-N-(2-methoxyethyl)-1-N-propan-2-yl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340371
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine
CID 103340447

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine (CID 106180602) is 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine is COCC(CCCN)NCC=C(C)C.
What is the InChIKey of 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine?
The InChIKey is SOXHSGAJWCPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)6-8-13-11(9-14-3)5-4-7-12/h6,11,13H,4-5,7-9,12H2,1-3H3.
What are the key properties of 5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine?
5-methoxy-4-N-(3-methylbut-2-enyl)pentane-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.30, 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-(3-methylbut-2-enyl)pentane-1,4-diamine is sourced from PubChem (CID 106180602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).