azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide

C13H25IN2 — CID 175520694

IUPACazane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
SMILESCCN(CC)CCCc1ccccc1.I.N
InChIInChI=1S/C13H21N.HI.H3N/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H;1H3
InChIKeyJHHOCKXCYBCMII-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.74
Rot. Bonds6

About azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide

azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide (PubChem CID 175520694) has the molecular formula C13H25IN2 and a molecular weight of 336.26 g/mol. Its IUPAC name is azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide.

Molecular Properties

Compound Nameazane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
PubChem CID175520694
Molecular FormulaC13H25IN2
Molecular Weight336.26 g/mol
Exact Mass336.11
IUPAC Nameazane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
SMILESCCN(CC)CCCc1ccccc1.I.N
InChIInChI=1S/C13H21N.HI.H3N/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H;1H3
InChIKeyJHHOCKXCYBCMII-UHFFFAOYSA-N
XLogP3.74
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373

Frequently Asked Questions

What is the IUPAC name of azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide?
The IUPAC name of azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide (CID 175520694) is azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide.
What is the SMILES notation for azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide?
The canonical SMILES for azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide is CCN(CC)CCCc1ccccc1.I.N.
What is the InChIKey of azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide?
The InChIKey is JHHOCKXCYBCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.HI.H3N/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13;;/h5-7,9-10H,3-4,8,11-12H2,1-2H3;1H;1H3.
What are the key properties of azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide?
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide has a molecular weight of 336.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide is sourced from PubChem (CID 175520694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).