N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine

C14H22N2 — CID 93072425

IUPACN',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
SMILESCN(C)CCCNC/C=C\c1ccccc1
InChIInChI=1S/C14H22N2/c1-16(2)13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,7,11-13H2,1-2H3/b10-6-
InChIKeyFACUYLWXOKZJLN-POHAHGRESA-N
MW218.34 g/mol
LogP2.24
Rot. Bonds7

About N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine

N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine (PubChem CID 93072425) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
PubChem CID93072425
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
SMILESCN(C)CCCNC/C=C\c1ccccc1
InChIInChI=1S/C14H22N2/c1-16(2)13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,7,11-13H2,1-2H3/b10-6-
InChIKeyFACUYLWXOKZJLN-POHAHGRESA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.24
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

N',N'-diethyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 17214982
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509
N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
CID 103638583
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852
N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 76950960
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine (CID 93072425) is N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine is CN(C)CCCNC/C=C\c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine?
The InChIKey is FACUYLWXOKZJLN-POHAHGRESA-N. The full InChI is InChI=1S/C14H22N2/c1-16(2)13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,7,11-13H2,1-2H3/b10-6-.
What are the key properties of N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine is sourced from PubChem (CID 93072425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).