1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine

C14H24N2 — CID 23460299

IUPAC1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
SMILESCCCN(CCC)C(C)Nc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-11-16(12-5-2)13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyNISXBRUUFGIIFW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.57
Rot. Bonds7

About 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine

1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine (PubChem CID 23460299) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
PubChem CID23460299
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
SMILESCCCN(CCC)C(C)Nc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-11-16(12-5-2)13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyNISXBRUUFGIIFW-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
Fenuron
CID 7560
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N-Methyl-N',N'-diphenylurea
CID 25711
N-Butylaniline
CID 14310

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine?
The IUPAC name of 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine (CID 23460299) is 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine.
What is the SMILES notation for 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine?
The canonical SMILES for 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine is CCCN(CCC)C(C)Nc1ccccc1.
What is the InChIKey of 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine?
The InChIKey is NISXBRUUFGIIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-11-16(12-5-2)13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3.
What are the key properties of 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine?
1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine is sourced from PubChem (CID 23460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).