1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine

C10H24N2 — CID 154626302

IUPAC1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
SMILESCCCNC(C)NC(C)(C)CC
InChIInChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3
InChIKeyQJPMNFDVFBIMMH-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.11
Rot. Bonds6

About 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine

1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine (PubChem CID 154626302) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
PubChem CID154626302
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
SMILESCCCNC(C)NC(C)(C)CC
InChIInChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3
InChIKeyQJPMNFDVFBIMMH-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
2-methyl-N-(3-methylbutan-2-yl)butan-2-amine
CID 43824441
1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
CID 154626390
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
CID 59694519
CID 59694519
1-(propylamino)ethanethiol
CID 23019004
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
5,6,6-trimethyl-N-propylhept-1-en-3-amine
CID 105000976
(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
CID 163550671

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The IUPAC name of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine (CID 154626302) is 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The canonical SMILES for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine is CCCNC(C)NC(C)(C)CC.
What is the InChIKey of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
The InChIKey is QJPMNFDVFBIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-8-11-9(3)12-10(4,5)7-2/h9,11-12H,6-8H2,1-5H3.
What are the key properties of 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine?
1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine is sourced from PubChem (CID 154626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).