N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine

C10H22N2 — CID 62574549

IUPACN'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)C
InChIInChI=1S/C10H22N2/c1-5-7-11-8-9-12(6-2)10(3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNVLXLDKPNORSFM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds7

About N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine

N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62574549) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
PubChem CID62574549
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)C
InChIInChI=1S/C10H22N2/c1-5-7-11-8-9-12(6-2)10(3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyNVLXLDKPNORSFM-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
CID 103189471
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62553847
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
N-prop-2-enyltridecan-1-amine
CID 22467882
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine (CID 62574549) is N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CC)C(C)C.
What is the InChIKey of N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is NVLXLDKPNORSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-7-11-8-9-12(6-2)10(3)4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine?
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62574549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).