1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine

C13H24N2 — CID 65459333

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
SMILESNC1(CN2CCCC3CCCCC32)CC1
InChIInChI=1S/C13H24N2/c14-13(7-8-13)10-15-9-3-5-11-4-1-2-6-12(11)15/h11-12H,1-10,14H2
InChIKeyKYCDHYUBVHIUIM-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.13
Rot. Bonds2

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine (PubChem CID 65459333) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
PubChem CID65459333
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
SMILESNC1(CN2CCCC3CCCCC32)CC1
InChIInChI=1S/C13H24N2/c14-13(7-8-13)10-15-9-3-5-11-4-1-2-6-12(11)15/h11-12H,1-10,14H2
InChIKeyKYCDHYUBVHIUIM-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine (CID 65459333) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine is NC1(CN2CCCC3CCCCC32)CC1.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine?
The InChIKey is KYCDHYUBVHIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-13(7-8-13)10-15-9-3-5-11-4-1-2-6-12(11)15/h11-12H,1-10,14H2.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine?
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 65459333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).