1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine

C10H22N2O — CID 80561797

IUPAC1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
SMILESCCN(C(C)COC)C1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-4-12(8(2)7-13-3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3
InChIKeyKFBFSOFNKXJQOA-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds5

About 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine

1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine (PubChem CID 80561797) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
PubChem CID80561797
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
SMILESCCN(C(C)COC)C1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-4-12(8(2)7-13-3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3
InChIKeyKFBFSOFNKXJQOA-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)cyclopentane-1,3-diamine
CID 79469576
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one
CID 79643865
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 80561596
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
CID 79828360
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
2-[ethyl(1-methoxypropan-2-yl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64752459
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
CID 102860106

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine (CID 80561797) is 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine is CCN(C(C)COC)C1CC(N)C1.
What is the InChIKey of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine?
The InChIKey is KFBFSOFNKXJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-12(8(2)7-13-3)10-5-9(11)6-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine?
1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).