N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine

C17H29N3 — CID 107441271

IUPACN'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H29N3/c1-14(2)16(12-18)13-19-9-5-10-20-11-8-15-6-3-4-7-17(15)20/h3-4,6-7,14,16,19H,5,8-13,18H2,1-2H3
InChIKeyMZZJLJBXNLVMEM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.26
Rot. Bonds8

About N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine

N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441271) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441271
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H29N3/c1-14(2)16(12-18)13-19-9-5-10-20-11-8-15-6-3-4-7-17(15)20/h3-4,6-7,14,16,19H,5,8-13,18H2,1-2H3
InChIKeyMZZJLJBXNLVMEM-UHFFFAOYSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.26
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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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[(5-bromothiophen-2-yl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 43100076
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
1-butyl-2,3-dihydroindole
CID 4167209
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441271) is N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCCCN1CCc2ccccc21.
What is the InChIKey of N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MZZJLJBXNLVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)16(12-18)13-19-9-5-10-20-11-8-15-6-3-4-7-17(15)20/h3-4,6-7,14,16,19H,5,8-13,18H2,1-2H3.
What are the key properties of N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).