3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine

C13H30N2O — CID 82953440

IUPAC3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
SMILESCOCCN(C(C)C)C(C)CCNC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)14-8-7-13(5)15(12(3)4)9-10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyHMSZSWGTICVCCP-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine

3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine (PubChem CID 82953440) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
PubChem CID82953440
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
SMILESCOCCN(C(C)C)C(C)CCNC(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)14-8-7-13(5)15(12(3)4)9-10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyHMSZSWGTICVCCP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
CID 82949086
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255
2-N-butan-2-yl-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine (CID 82953440) is 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine is COCCN(C(C)C)C(C)CCNC(C)C.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine?
The InChIKey is HMSZSWGTICVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)14-8-7-13(5)15(12(3)4)9-10-16-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine?
3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 82953440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).