3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine

C25H36ClN3 — CID 57008609

IUPAC3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine
SMILESCCCCCC(Cl)C(CCN(C)C)(c1cccc2c1[nH]c1ccccc12)N(C)C
InChIInChI=1S/C25H36ClN3/c1-6-7-8-16-23(26)25(29(4)5,17-18-28(2)3)21-14-11-13-20-19-12-9-10-15-22(19)27-24(20)21/h9-15,23,27H,6-8,16-18H2,1-5H3
InChIKeyMMMVFVZIIVXWIW-UHFFFAOYSA-N
MW414.04 g/mol
LogP6.22
Rot. Bonds10

About 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine

3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine (PubChem CID 57008609) has the molecular formula C25H36ClN3 and a molecular weight of 414.04 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine
PubChem CID57008609
Molecular FormulaC25H36ClN3
Molecular Weight414.04 g/mol
Exact Mass413.26
IUPAC Name3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine
SMILESCCCCCC(Cl)C(CCN(C)C)(c1cccc2c1[nH]c1ccccc12)N(C)C
InChIInChI=1S/C25H36ClN3/c1-6-7-8-16-23(26)25(29(4)5,17-18-28(2)3)21-14-11-13-20-19-12-9-10-15-22(19)27-24(20)21/h9-15,23,27H,6-8,16-18H2,1-5H3
InChIKeyMMMVFVZIIVXWIW-UHFFFAOYSA-N
XLogP6.22
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.04
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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15-octyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 11155335

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine?
The IUPAC name of 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine (CID 57008609) is 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine.
What is the SMILES notation for 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine?
The canonical SMILES for 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine is CCCCCC(Cl)C(CCN(C)C)(c1cccc2c1[nH]c1ccccc12)N(C)C.
What is the InChIKey of 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine?
The InChIKey is MMMVFVZIIVXWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN3/c1-6-7-8-16-23(26)25(29(4)5,17-18-28(2)3)21-14-11-13-20-19-12-9-10-15-22(19)27-24(20)21/h9-15,23,27H,6-8,16-18H2,1-5H3.
What are the key properties of 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine?
3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine has a molecular weight of 414.04 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)-4-chloro-1-N,1-N,3-N,3-N-tetramethylnonane-1,3-diamine is sourced from PubChem (CID 57008609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).