N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine

C16H26N2 — CID 123329790

IUPACN-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCN(C/C(C)=N/C)CC(C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-11-18(13-15(3)17-4)12-14(2)16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3/b17-15+
InChIKeyMGHGVEPUGOJTEW-BMRADRMJSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds7

About N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine

N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine (PubChem CID 123329790) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine
PubChem CID123329790
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine
SMILESCCCN(C/C(C)=N/C)CC(C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-11-18(13-15(3)17-4)12-14(2)16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3/b17-15+
InChIKeyMGHGVEPUGOJTEW-BMRADRMJSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
CID 57120163
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
N-(2-methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
pentan-2-ylbenzene
CID 17627
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 131905999

Frequently Asked Questions

What is the IUPAC name of N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine (CID 123329790) is N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine is CCCN(C/C(C)=N/C)CC(C)c1ccccc1.
What is the InChIKey of N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine?
The InChIKey is MGHGVEPUGOJTEW-BMRADRMJSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-11-18(13-15(3)17-4)12-14(2)16-9-7-6-8-10-16/h6-10,14H,5,11-13H2,1-4H3/b17-15+.
What are the key properties of N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine?
N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyliminopropyl)-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 123329790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).