2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine

C14H31N3O — CID 163895517

IUPAC2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine
SMILESCCC1(N)CC(C)C1COC(C)(CN)CC(C)N
InChIInChI=1S/C14H31N3O/c1-5-14(17)6-10(2)12(14)8-18-13(4,9-15)7-11(3)16/h10-12H,5-9,15-17H2,1-4H3
InChIKeyQFGCZGVOQIBITO-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.22
Rot. Bonds7

About 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine

2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine (PubChem CID 163895517) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine.

Molecular Properties

Compound Name2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine
PubChem CID163895517
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine
SMILESCCC1(N)CC(C)C1COC(C)(CN)CC(C)N
InChIInChI=1S/C14H31N3O/c1-5-14(17)6-10(2)12(14)8-18-13(4,9-15)7-11(3)16/h10-12H,5-9,15-17H2,1-4H3
InChIKeyQFGCZGVOQIBITO-UHFFFAOYSA-N
XLogP1.22
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine?
The IUPAC name of 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine (CID 163895517) is 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine.
What is the SMILES notation for 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine?
The canonical SMILES for 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine is CCC1(N)CC(C)C1COC(C)(CN)CC(C)N.
What is the InChIKey of 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine?
The InChIKey is QFGCZGVOQIBITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-14(17)6-10(2)12(14)8-18-13(4,9-15)7-11(3)16/h10-12H,5-9,15-17H2,1-4H3.
What are the key properties of 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine?
2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine has a molecular weight of 257.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethyl-4-methylcyclobutyl)methoxy]-2-methylpentane-1,4-diamine is sourced from PubChem (CID 163895517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).