N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine

C19H26N2 — CID 12964090

IUPACN,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
SMILESC[C@@H](NCCCN[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-16(18-10-5-3-6-11-18)20-14-9-15-21-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-21H,9,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeySJWAFIWTYFTGRM-IAGOWNOFSA-N
MW282.43 g/mol
LogP4.08
Rot. Bonds8

About N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine

N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine (PubChem CID 12964090) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
PubChem CID12964090
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
SMILESC[C@@H](NCCCN[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-16(18-10-5-3-6-11-18)20-14-9-15-21-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-21H,9,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeySJWAFIWTYFTGRM-IAGOWNOFSA-N
XLogP4.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
4,4-dimethoxy-N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387384
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine (CID 12964090) is N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine is C[C@@H](NCCCN[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine?
The InChIKey is SJWAFIWTYFTGRM-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2/c1-16(18-10-5-3-6-11-18)20-14-9-15-21-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17,20-21H,9,14-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine?
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine is sourced from PubChem (CID 12964090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).