3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride

C13H28Cl2N2 — CID 139891240

IUPAC3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride
SMILESC=CCN(CC=C)C(CC)(CC)CCN.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-5-11-15(12-6-2)13(7-3,8-4)9-10-14;;/h5-6H,1-2,7-12,14H2,3-4H3;2*1H
InChIKeyBCJGKFAPADXMJA-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.41
Rot. Bonds9

About 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride

3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride (PubChem CID 139891240) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride
PubChem CID139891240
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride
SMILESC=CCN(CC=C)C(CC)(CC)CCN.Cl.Cl
InChIInChI=1S/C13H26N2.2ClH/c1-5-11-15(12-6-2)13(7-3,8-4)9-10-14;;/h5-6H,1-2,7-12,14H2,3-4H3;2*1H
InChIKeyBCJGKFAPADXMJA-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-prop-2-enylhex-5-en-1-amine
CID 153496771
1-N',1-N",1-N"-tris(prop-2-enyl)hexane-1,1,1-triamine
CID 118539201
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
CID 87364859
1-N',1-N",1-N"-tris(prop-2-enyl)dodecane-1,1,1-triamine
CID 118539128
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
2-[ethyl(prop-2-enyl)amino]-2,2-dihydroxyacetic acid
CID 87917847
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
1,1-bis(prop-2-enyl)hydrazine;dihydrochloride
CID 174545324
tris[bis(prop-2-enyl)amino]sulfanium
CID 87207989
3,3-diethylhexane-1,6-diamine
CID 89464851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride?
The IUPAC name of 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride (CID 139891240) is 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride?
The canonical SMILES for 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride is C=CCN(CC=C)C(CC)(CC)CCN.Cl.Cl.
What is the InChIKey of 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride?
The InChIKey is BCJGKFAPADXMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2ClH/c1-5-11-15(12-6-2)13(7-3,8-4)9-10-14;;/h5-6H,1-2,7-12,14H2,3-4H3;2*1H.
What are the key properties of 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride?
3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride has a molecular weight of 283.29 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-bis(prop-2-enyl)pentane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 139891240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).