N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine

C27H34N4 — CID 174683904

IUPACN',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1
InChIInChI=1S/C27H34N4/c1-4-30(5-2)19-18-29(3)27-20-24-23-15-9-10-16-25(23)31(26(24)21-28-27)17-11-14-22-12-7-6-8-13-22/h6-10,12-13,15-16,20-21H,4-5,11,14,17-19H2,1-3H3
InChIKeyRKVNVAQNEQIWTI-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.60
Rot. Bonds10

About N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine

N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine (PubChem CID 174683904) has the molecular formula C27H34N4 and a molecular weight of 414.60 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine
PubChem CID174683904
Molecular FormulaC27H34N4
Molecular Weight414.60 g/mol
Exact Mass414.28
IUPAC NameN',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1
InChIInChI=1S/C27H34N4/c1-4-30(5-2)19-18-29(3)27-20-24-23-15-9-10-16-25(23)31(26(24)21-28-27)17-11-14-22-12-7-6-8-13-22/h6-10,12-13,15-16,20-21H,4-5,11,14,17-19H2,1-3H3
InChIKeyRKVNVAQNEQIWTI-UHFFFAOYSA-N
XLogP5.60
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[[9-(2-phenylethyl)pyrido[3,4-b]indol-3-yl]methyl]propane-1,3-diamine
CID 56640269
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine
CID 56642027
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine;tetrahydrochloride
CID 56642026
N,N-diethyl-3-[[1-methyl-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methylideneamino]propan-1-amine
CID 46849930
N',N'-bis[(9-butylpyrido[3,4-b]indol-3-yl)methyl]propane-1,3-diamine
CID 141373757
N-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 56640129
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871
[9-[3-(diethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666925
sodium (2S)-3-methyl-2-[[9-(3-phenylpropyl)pyrido[3,4-b]indole-3-carbonyl]amino]butanoate
CID 46193002
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine (CID 174683904) is N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine is CCN(CC)CCN(C)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine?
The InChIKey is RKVNVAQNEQIWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4/c1-4-30(5-2)19-18-29(3)27-20-24-23-15-9-10-16-25(23)31(26(24)21-28-27)17-11-14-22-12-7-6-8-13-22/h6-10,12-13,15-16,20-21H,4-5,11,14,17-19H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine has a molecular weight of 414.60 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 174683904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).