N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine

C15H19N3 — CID 154763341

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
SMILESc1ccc2c(c1)CC1C(NC3=NCCCCN3)C21
InChIInChI=1S/C15H19N3/c1-2-6-11-10(5-1)9-12-13(11)14(12)18-15-16-7-3-4-8-17-15/h1-2,5-6,12-14H,3-4,7-9H2,(H2,16,17,18)
InChIKeyLMUXHTAHDPCVOZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.65
Rot. Bonds1

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine (PubChem CID 154763341) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
PubChem CID154763341
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
SMILESc1ccc2c(c1)CC1C(NC3=NCCCCN3)C21
InChIInChI=1S/C15H19N3/c1-2-6-11-10(5-1)9-12-13(11)14(12)18-15-16-7-3-4-8-17-15/h1-2,5-6,12-14H,3-4,7-9H2,(H2,16,17,18)
InChIKeyLMUXHTAHDPCVOZ-UHFFFAOYSA-N
XLogP1.65
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine (CID 154763341) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine is c1ccc2c(c1)CC1C(NC3=NCCCCN3)C21.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
The InChIKey is LMUXHTAHDPCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-6-11-10(5-1)9-12-13(11)14(12)18-15-16-7-3-4-8-17-15/h1-2,5-6,12-14H,3-4,7-9H2,(H2,16,17,18).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine is sourced from PubChem (CID 154763341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).