1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine

C10H24N2 — CID 154626445

IUPAC1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
SMILESCCCC(NCC)NC(C)CC
InChIInChI=1S/C10H24N2/c1-5-8-10(11-7-3)12-9(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeyGYEMMINVZSSVDJ-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.11
Rot. Bonds7

About 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine

1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine (PubChem CID 154626445) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
PubChem CID154626445
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
SMILESCCCC(NCC)NC(C)CC
InChIInChI=1S/C10H24N2/c1-5-8-10(11-7-3)12-9(4)6-2/h9-12H,5-8H2,1-4H3
InChIKeyGYEMMINVZSSVDJ-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
N-butan-2-ylheptan-4-amine
CID 43190303
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626442
1-(ethylamino)butylcyanamide
CID 123415361
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
2-(butan-2-ylamino)pentanenitrile
CID 61023749
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 57293793

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine?
The IUPAC name of 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine (CID 154626445) is 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine?
The canonical SMILES for 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine is CCCC(NCC)NC(C)CC.
What is the InChIKey of 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine?
The InChIKey is GYEMMINVZSSVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-8-10(11-7-3)12-9(4)6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine?
1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine is sourced from PubChem (CID 154626445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).