1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine

C10H24N2 — CID 167346296

IUPAC1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine
SMILESCCC(NCC(C)C)NC(C)C
InChIInChI=1S/C10H24N2/c1-6-10(12-9(4)5)11-7-8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyYQKIVUIQYQKHIC-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.97
Rot. Bonds6

About 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine

1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine (PubChem CID 167346296) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine
PubChem CID167346296
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine
SMILESCCC(NCC(C)C)NC(C)C
InChIInChI=1S/C10H24N2/c1-6-10(12-9(4)5)11-7-8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyYQKIVUIQYQKHIC-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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-propan-2-ylpropane-1,1-diamine
CID 154626442
3-methyl-1-N,1-N'-bis(2-methylpropyl)butane-1,1-diamine
CID 160646348
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054
1-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 62569750
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
5-methyl-N-propan-2-ylhexan-3-amine
CID 91577659
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
propane;N-propan-2-ylpentan-3-amine
CID 144761250
(1S)-1-(2-methylpropylamino)ethanethiol
CID 168900997
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 57293793
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine (CID 167346296) is 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine is CCC(NCC(C)C)NC(C)C.
What is the InChIKey of 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine?
The InChIKey is YQKIVUIQYQKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-10(12-9(4)5)11-7-8(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine?
1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine is sourced from PubChem (CID 167346296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).