[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine

C27H32N2 — CID 142308121

IUPAC[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine
SMILESC=C(c1nc(CN)ccc1C1CC1)C1CCC(c2ccc3c(c2)CCC=C3)CC1
InChIInChI=1S/C27H32N2/c1-18(27-26(22-11-12-22)15-14-25(17-28)29-27)19-6-8-21(9-7-19)24-13-10-20-4-2-3-5-23(20)16-24/h2,4,10,13-16,19,21-22H,1,3,5-9,11-12,17,28H2
InChIKeyVIUUPHMIOCHKJQ-UHFFFAOYSA-N
MW384.57 g/mol
LogP6.36
Rot. Bonds5

About [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine

[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine (PubChem CID 142308121) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine
PubChem CID142308121
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine
SMILESC=C(c1nc(CN)ccc1C1CC1)C1CCC(c2ccc3c(c2)CCC=C3)CC1
InChIInChI=1S/C27H32N2/c1-18(27-26(22-11-12-22)15-14-25(17-28)29-27)19-6-8-21(9-7-19)24-13-10-20-4-2-3-5-23(20)16-24/h2,4,10,13-16,19,21-22H,1,3,5-9,11-12,17,28H2
InChIKeyVIUUPHMIOCHKJQ-UHFFFAOYSA-N
XLogP6.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine?
The IUPAC name of [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine (CID 142308121) is [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine is C=C(c1nc(CN)ccc1C1CC1)C1CCC(c2ccc3c(c2)CCC=C3)CC1.
What is the InChIKey of [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine?
The InChIKey is VIUUPHMIOCHKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-18(27-26(22-11-12-22)15-14-25(17-28)29-27)19-6-8-21(9-7-19)24-13-10-20-4-2-3-5-23(20)16-24/h2,4,10,13-16,19,21-22H,1,3,5-9,11-12,17,28H2.
What are the key properties of [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine?
[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine has a molecular weight of 384.57 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 142308121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).