3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine

C14H32N2 — CID 43096593

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
SMILESCCC(C)CNCC(C(CC)CC)N(C)C
InChIInChI=1S/C14H32N2/c1-7-12(4)10-15-11-14(16(5)6)13(8-2)9-3/h12-15H,7-11H2,1-6H3
InChIKeyALNFUKPHZZLOHL-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds9

About 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine (PubChem CID 43096593) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
PubChem CID43096593
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
SMILESCCC(C)CNCC(C(CC)CC)N(C)C
InChIInChI=1S/C14H32N2/c1-7-12(4)10-15-11-14(16(5)6)13(8-2)9-3/h12-15H,7-11H2,1-6H3
InChIKeyALNFUKPHZZLOHL-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
3-ethyl-1-N-heptyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43130327
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 102868158
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol
CID 81412557
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
CID 65333297
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
CID 63422232
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine (CID 43096593) is 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine is CCC(C)CNCC(C(CC)CC)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine?
The InChIKey is ALNFUKPHZZLOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-12(4)10-15-11-14(16(5)6)13(8-2)9-3/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 43096593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).