N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine

C14H24N2 — CID 62424864

IUPACN'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
SMILESCCN(CCCCCNC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-16(13-9-5-8-12-15-2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3
InChIKeyVVUKIWRFJFCYCF-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds8

About N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine

N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine (PubChem CID 62424864) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
PubChem CID62424864
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
SMILESCCN(CCCCCNC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-16(13-9-5-8-12-15-2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3
InChIKeyVVUKIWRFJFCYCF-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 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 ≤ 52.90
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'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
N,N-diethylaniline
CID 7061
3-(N-ethylanilino)propylurea
CID 112708177
1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
CID 110919333
4-(N-ethylanilino)butanoic acid
CID 11390560
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
N-[3-(methylamino)propyl]-N-phenylformamide
CID 71419889

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine (CID 62424864) is N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine is CCN(CCCCCNC)c1ccccc1.
What is the InChIKey of N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine?
The InChIKey is VVUKIWRFJFCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(13-9-5-8-12-15-2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine?
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine is sourced from PubChem (CID 62424864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).