3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine

C14H32N2O — CID 115709020

IUPAC3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)C(C)OC)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-13(9-2)14(16(5)6)10-15-11(3)12(4)17-7/h11-15H,8-10H2,1-7H3
InChIKeyCICVYLMPXRSVMO-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds9

About 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 115709020) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID115709020
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)C(C)OC)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-13(9-2)14(16(5)6)10-15-11(3)12(4)17-7/h11-15H,8-10H2,1-7H3
InChIKeyCICVYLMPXRSVMO-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 102868158
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
CID 65333297
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896258
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43096436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine (CID 115709020) is 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)C(C)OC)N(C)C.
What is the InChIKey of 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is CICVYLMPXRSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-13(9-2)14(16(5)6)10-15-11(3)12(4)17-7/h11-15H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 115709020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).