N'-pentan-2-yl-N'-phenylpropane-1,3-diamine

C14H24N2 — CID 107895596

IUPACN'-pentan-2-yl-N'-phenylpropane-1,3-diamine
SMILESCCCC(C)N(CCCN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-8-13(2)16(12-7-11-15)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12,15H2,1-2H3
InChIKeyFJGFGODLCTXBHH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.03
Rot. Bonds7

About N'-pentan-2-yl-N'-phenylpropane-1,3-diamine

N'-pentan-2-yl-N'-phenylpropane-1,3-diamine (PubChem CID 107895596) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-pentan-2-yl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-pentan-2-yl-N'-phenylpropane-1,3-diamine
PubChem CID107895596
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-pentan-2-yl-N'-phenylpropane-1,3-diamine
SMILESCCCC(C)N(CCCN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-8-13(2)16(12-7-11-15)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12,15H2,1-2H3
InChIKeyFJGFGODLCTXBHH-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-yl-N-propylaniline
CID 54357467
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
1-[N-(3-aminopropyl)anilino]propan-2-ol
CID 65277240
N,N-di(propan-2-yl)aniline;ethanamine
CID 175553373
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
(2S)-2-(N-octylanilino)propanamide
CID 138373855
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939
4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine
CID 107891860

Frequently Asked Questions

What is the IUPAC name of N'-pentan-2-yl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-pentan-2-yl-N'-phenylpropane-1,3-diamine (CID 107895596) is N'-pentan-2-yl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-pentan-2-yl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-pentan-2-yl-N'-phenylpropane-1,3-diamine is CCCC(C)N(CCCN)c1ccccc1.
What is the InChIKey of N'-pentan-2-yl-N'-phenylpropane-1,3-diamine?
The InChIKey is FJGFGODLCTXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-8-13(2)16(12-7-11-15)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12,15H2,1-2H3.
What are the key properties of N'-pentan-2-yl-N'-phenylpropane-1,3-diamine?
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-2-yl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 107895596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).