N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine

C16H24N2 — CID 76950960

IUPACN-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESC(=Cc1ccccc1)CNCCCN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,6,8-10,17H,4-5,7,11-15H2
InChIKeyXAEQQUPQOZZTCI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.78
Rot. Bonds7

About N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 76950960) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID76950960
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESC(=Cc1ccccc1)CNCCCN1CCCC1
InChIInChI=1S/C16H24N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,6,8-10,17H,4-5,7,11-15H2
InChIKeyXAEQQUPQOZZTCI-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.78
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'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
(E)-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid
CID 103250636
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
CID 103638583
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
N',N'-diethyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 17214982

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 76950960) is N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine is C(=Cc1ccccc1)CNCCCN1CCCC1.
What is the InChIKey of N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is XAEQQUPQOZZTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,6,8-10,17H,4-5,7,11-15H2.
What are the key properties of N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 76950960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).