N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine

C19H25N3 — CID 175924783

IUPACN'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1c2ccccc2c2cc(CNCCCN)ccc21
InChIInChI=1S/C19H25N3/c1-14(2)22-18-7-4-3-6-16(18)17-12-15(8-9-19(17)22)13-21-11-5-10-20/h3-4,6-9,12,14,21H,5,10-11,13,20H2,1-2H3
InChIKeyHJKSQWYPDYGJSZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.81
Rot. Bonds6

About N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine

N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 175924783) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine
PubChem CID175924783
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine
SMILESCC(C)n1c2ccccc2c2cc(CNCCCN)ccc21
InChIInChI=1S/C19H25N3/c1-14(2)22-18-7-4-3-6-16(18)17-12-15(8-9-19(17)22)13-21-11-5-10-20/h3-4,6-9,12,14,21H,5,10-11,13,20H2,1-2H3
InChIKeyHJKSQWYPDYGJSZ-UHFFFAOYSA-N
XLogP3.81
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine (CID 175924783) is N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine is CC(C)n1c2ccccc2c2cc(CNCCCN)ccc21.
What is the InChIKey of N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is HJKSQWYPDYGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-14(2)22-18-7-4-3-6-16(18)17-12-15(8-9-19(17)22)13-21-11-5-10-20/h3-4,6-9,12,14,21H,5,10-11,13,20H2,1-2H3.
What are the key properties of N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine?
N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(9-propan-2-ylcarbazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 175924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).