N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine

C14H24N2 — CID 43137195

IUPACN'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
SMILESCCN(CCCN)CCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-2-16(13-7-11-15)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,15H2,1H3
InChIKeyNLIGGOKSDGVBFI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds8

About N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine

N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine (PubChem CID 43137195) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
PubChem CID43137195
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
SMILESCCN(CCCN)CCCc1ccccc1
InChIInChI=1S/C14H24N2/c1-2-16(13-7-11-15)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,15H2,1H3
InChIKeyNLIGGOKSDGVBFI-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
3-phenylpropan-1-amine;propane
CID 70273467
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
benzene;3-phenylpropan-1-amine
CID 174865683
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine (CID 43137195) is N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine is CCN(CCCN)CCCc1ccccc1.
What is the InChIKey of N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The InChIKey is NLIGGOKSDGVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-16(13-7-11-15)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,15H2,1H3.
What are the key properties of N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine is sourced from PubChem (CID 43137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).