2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine

C10H23N3 — CID 134534627

IUPAC2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)(C)NCC(C)N
InChIInChI=1S/C10H23N3/c1-5-6-12-8-10(3,4)13-7-9(2)11/h5,9,12-13H,1,6-8,11H2,2-4H3
InChIKeyMVBAMERRYSZTQT-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.48
Rot. Bonds7

About 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 134534627) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID134534627
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)(C)NCC(C)N
InChIInChI=1S/C10H23N3/c1-5-6-12-8-10(3,4)13-7-9(2)11/h5,9,12-13H,1,6-8,11H2,2-4H3
InChIKeyMVBAMERRYSZTQT-UHFFFAOYSA-N
XLogP0.48
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
N,N'-Diisopropyl-2-butene-1,4-diamine
CID 6450909
(1-Amino-3-methylbutan-2-yl)bis(prop-2-en-1-yl)amine
CID 43810483
N-allyl-3-methylpiperazine
CID 23447962
(E)-N-tert-butylbut-2-en-1-amine
CID 13641435
N'-tert-butyl-N-prop-2-enylethane-1,2-diamine
CID 79006966
N-prop-2-enyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 105946260
(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 10011916
2,5,5-Trimethyl-1-prop-2-enylpiperazine
CID 20612347

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine (CID 134534627) is 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)(C)NCC(C)N.
What is the InChIKey of 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is MVBAMERRYSZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-6-12-8-10(3,4)13-7-9(2)11/h5,9,12-13H,1,6-8,11H2,2-4H3.
What are the key properties of 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminopropyl)-2-methyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 134534627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).