N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine

C18H30N2 — CID 43111286

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
SMILESCCCC(CCC)NCCCN1CCc2ccccc21
InChIInChI=1S/C18H30N2/c1-3-8-17(9-4-2)19-13-7-14-20-15-12-16-10-5-6-11-18(16)20/h5-6,10-11,17,19H,3-4,7-9,12-15H2,1-2H3
InChIKeyKBDYGRWAJZNJRQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.00
Rot. Bonds9

About N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine (PubChem CID 43111286) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
PubChem CID43111286
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
SMILESCCCC(CCC)NCCCN1CCc2ccccc21
InChIInChI=1S/C18H30N2/c1-3-8-17(9-4-2)19-13-7-14-20-15-12-16-10-5-6-11-18(16)20/h5-6,10-11,17,19H,3-4,7-9,12-15H2,1-2H3
InChIKeyKBDYGRWAJZNJRQ-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
3-(2,3-dihydroindol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115708238
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
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
(2R)-2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methylsulfanylbutanamide
CID 104908137
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
CID 63028473
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine (CID 43111286) is N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine is CCCC(CCC)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine?
The InChIKey is KBDYGRWAJZNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-8-17(9-4-2)19-13-7-14-20-15-12-16-10-5-6-11-18(16)20/h5-6,10-11,17,19H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine has a molecular weight of 274.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine is sourced from PubChem (CID 43111286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).