2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile

C18H23N3 — CID 102916065

IUPAC2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(C)NCc1ccc2c(ccn2CC2(CC#N)CC2)c1
InChIInChI=1S/C18H23N3/c1-14(2)20-12-15-3-4-17-16(11-15)5-10-21(17)13-18(6-7-18)8-9-19/h3-5,10-11,14,20H,6-8,12-13H2,1-2H3
InChIKeySMXDGGSNQVNXJT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds6

About 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 102916065) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID102916065
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(C)NCc1ccc2c(ccn2CC2(CC#N)CC2)c1
InChIInChI=1S/C18H23N3/c1-14(2)20-12-15-3-4-17-16(11-15)5-10-21(17)13-18(6-7-18)8-9-19/h3-5,10-11,14,20H,6-8,12-13H2,1-2H3
InChIKeySMXDGGSNQVNXJT-UHFFFAOYSA-N
XLogP3.83
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile (CID 102916065) is 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile is CC(C)NCc1ccc2c(ccn2CC2(CC#N)CC2)c1.
What is the InChIKey of 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is SMXDGGSNQVNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(2)20-12-15-3-4-17-16(11-15)5-10-21(17)13-18(6-7-18)8-9-19/h3-5,10-11,14,20H,6-8,12-13H2,1-2H3.
What are the key properties of 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 102916065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).