(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

C17H24N2 — CID 97381003

IUPAC(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21
InChIInChI=1S/C17H24N2/c1-18(2)17-14-6-4-3-5-13(14)15-10-19(11-16(15)17)9-12-7-8-12/h3-6,12,15-17H,7-11H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyUSNSOQNOYAKTBZ-ULQDDVLXSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds3

About (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (PubChem CID 97381003) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
PubChem CID97381003
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21
InChIInChI=1S/C17H24N2/c1-18(2)17-14-6-4-3-5-13(14)15-10-19(11-16(15)17)9-12-7-8-12/h3-6,12,15-17H,7-11H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyUSNSOQNOYAKTBZ-ULQDDVLXSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The IUPAC name of (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (CID 97381003) is (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The canonical SMILES for (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is CN(C)[C@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@@H]21.
What is the InChIKey of (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The InChIKey is USNSOQNOYAKTBZ-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H24N2/c1-18(2)17-14-6-4-3-5-13(14)15-10-19(11-16(15)17)9-12-7-8-12/h3-6,12,15-17H,7-11H2,1-2H3/t15-,16-,17-/m0/s1.
What are the key properties of (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
(3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine has a molecular weight of 256.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8bR)-2-(cyclopropylmethyl)-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is sourced from PubChem (CID 97381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).