N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine

C17H25N3 — CID 65334049

IUPACN',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
SMILESCN(C)CCCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H25N3/c1-20(2)12-6-11-18-16-10-5-8-14-13-7-3-4-9-15(13)19-17(14)16/h3-4,7,9,16,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyKBMGGUQXXZWVED-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.09
Rot. Bonds5

About N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine

N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine (PubChem CID 65334049) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
PubChem CID65334049
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
SMILESCN(C)CCCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H25N3/c1-20(2)12-6-11-18-16-10-5-8-14-13-7-3-4-9-15(13)19-17(14)16/h3-4,7,9,16,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyKBMGGUQXXZWVED-UHFFFAOYSA-N
XLogP3.09
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 107416848
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine (CID 65334049) is N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine is CN(C)CCCNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine?
The InChIKey is KBMGGUQXXZWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-20(2)12-6-11-18-16-10-5-8-14-13-7-3-4-9-15(13)19-17(14)16/h3-4,7,9,16,18-19H,5-6,8,10-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine is sourced from PubChem (CID 65334049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).