(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine

C26H42N4 — CID 67291446

IUPAC(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
SMILESCCCN(CCC)c1ccc([C@H](N)[C@@H](N)c2ccc(N(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H42N4/c1-5-17-29(18-6-2)23-13-9-21(10-14-23)25(27)26(28)22-11-15-24(16-12-22)30(19-7-3)20-8-4/h9-16,25-26H,5-8,17-20,27-28H2,1-4H3/t25-,26-/m0/s1
InChIKeyYWQJUYNQRUZJDZ-UIOOFZCWSA-N
MW410.65 g/mol
LogP5.64
Rot. Bonds13

About (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine

(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine (PubChem CID 67291446) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
PubChem CID67291446
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC Name(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
SMILESCCCN(CCC)c1ccc([C@H](N)[C@@H](N)c2ccc(N(CCC)CCC)cc2)cc1
InChIInChI=1S/C26H42N4/c1-5-17-29(18-6-2)23-13-9-21(10-14-23)25(27)26(28)22-11-15-24(16-12-22)30(19-7-3)20-8-4/h9-16,25-26H,5-8,17-20,27-28H2,1-4H3/t25-,26-/m0/s1
InChIKeyYWQJUYNQRUZJDZ-UIOOFZCWSA-N
XLogP5.64
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
CID 139775175
4-[[4-(dipropylamino)phenyl]-propoxymethyl]-N,N-dipropylaniline
CID 139775188
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-bromo-N,N-dipropylaniline
CID 10445113
3-amino-3-[4-[2-chloroethyl(propyl)amino]phenyl]propanoic acid
CID 59189683
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N,N-dipropylaniline;ethane
CID 142135231

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine?
The IUPAC name of (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine (CID 67291446) is (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine?
The canonical SMILES for (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine is CCCN(CCC)c1ccc([C@H](N)[C@@H](N)c2ccc(N(CCC)CCC)cc2)cc1.
What is the InChIKey of (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine?
The InChIKey is YWQJUYNQRUZJDZ-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H42N4/c1-5-17-29(18-6-2)23-13-9-21(10-14-23)25(27)26(28)22-11-15-24(16-12-22)30(19-7-3)20-8-4/h9-16,25-26H,5-8,17-20,27-28H2,1-4H3/t25-,26-/m0/s1.
What are the key properties of (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine?
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine has a molecular weight of 410.65 g/mol, XLogP of 5.64, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 67291446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).