N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine

C8H18N2 — CID 58500440

IUPACN',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCCCN(C)C
InChIInChI=1S/C8H18N2/c1-8(2)9-6-5-7-10(3)4/h9H,1,5-7H2,2-4H3
InChIKeyUBKBBHQZOKCMCX-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.06
Rot. Bonds5

About N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine

N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine (PubChem CID 58500440) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine
PubChem CID58500440
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCCCN(C)C
InChIInChI=1S/C8H18N2/c1-8(2)9-6-5-7-10(3)4/h9H,1,5-7H2,2-4H3
InChIKeyUBKBBHQZOKCMCX-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-N-(4-fluorobutyl)-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 126605051
1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
CID 130277887
2,2-difluoro-N,N-dimethyl-N'-prop-1-en-2-ylpropane-1,3-diamine
CID 178011043
1-N-(2-fluoropropyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 170727794
N-prop-1-en-2-ylpropan-1-amine
CID 15394288
N-ethyl-N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
CID 16047390
N'-prop-1-en-2-ylbutane-1,4-diamine
CID 20647369
N',N'-dimethyl-N-(3-methylbut-1-en-2-yl)propane-1,3-diamine
CID 58200949
N'-prop-1-en-2-ylpropane-1,3-diamine
CID 58325463
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N'-[3-[3-(prop-1-en-2-ylamino)propylamino]propyl]propane-1,3-diamine
CID 58965169
N'-but-1-en-2-yl-N-ethylethane-1,2-diamine
CID 59197969

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine (CID 58500440) is N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine is C=C(C)NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine?
The InChIKey is UBKBBHQZOKCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)9-6-5-7-10(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine?
N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-prop-1-en-2-ylpropane-1,3-diamine is sourced from PubChem (CID 58500440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).